Spectral Similarity Search based on
144,833,798 Structures
downloadable from the INTERNET
using CSEARCH - Technology


Description of Request


Please cite this service as:

   W. Robien; https://c13nmr.at/similar/eval.php    


  Request submitted via: 

Logo

  Requested by: 
    gaetan.herbette@univ-amu.fr   

  Requested on: 
    2024:11:05 at 12:18   


This page will be kept for 30 days here

  Name of Project: 
    Forbexanthone   

  Name of Compound: 
    Forbexanthone   



Summary of Supplied Data


Peaklist given - consists of 18 Lines




 Line number 

 Chemical Shift (ppm) 

 Multiplicity 

 Hydrogens 

 Deviation (ppm) 
  1 
  164.50 
 ? 
 C or CH or CH2 or CH3  
  3.00 
  2 
  98.20 
 ? 
 C or CH or CH2 or CH3  
  3.00 
  3 
  167.20 
 ? 
 C or CH or CH2 or CH3  
  3.00 
  4 
  93.40 
 ? 
 C or CH or CH2 or CH3  
  3.00 
  5 
  158.70 
 ? 
 C or CH or CH2 or CH3  
  3.00 
  6 
  134.30 
 ? 
 C or CH or CH2 or CH3  
  3.00 
  7 
  148.00 
 ? 
 C or CH or CH2 or CH3  
  3.00 
  8 
  119.60 
 ? 
 C or CH or CH2 or CH3  
  3.00 
  9 
  113.30 
 ? 
 C or CH or CH2 or CH3  
  3.00 
 10 
  115.70 
 ? 
 C or CH or CH2 or CH3  
  3.00 
 11 
  181.50 
 ? 
 C or CH or CH2 or CH3  
  3.00 
 12 
  104.30 
 ? 
 C or CH or CH2 or CH3  
  3.00 
 13 
  147.50 
 ? 
 C or CH or CH2 or CH3  
  3.00 
 14 
  122.50 
 ? 
 C or CH or CH2 or CH3  
  3.00 
 15 
  132.20 
 ? 
 C or CH or CH2 or CH3  
  3.00 
 16 
  78.60 
 ? 
 C or CH or CH2 or CH3  
  3.00 
 17 
  28.60 
 ? 
 C or CH or CH2 or CH3  
  3.00 
 18 
  56.40 
 ? 
 C or CH or CH2 or CH3  
  3.00 


Shiftvalues eliminated - entered twice



 Line number 

 Chemical Shift (ppm) 

 Multiplicity 

 Deviation (ppm) 
  1 
  28.60 
 ? 
  3.00 


Spectrum





 Additional Constraints given 

Any range more than 2*deviation (ppm) away from a query shiftvalue
remains without line(s) in reference compounds

 Minimum number of signals in reference compounds: 
1
 Maximum number of signals in reference compounds: 
99

Constraint from molecular weight already applied during search

 Lower limit for molecular weight: 
12.00
 Upper limit for molecular weight: 
9999.00
 N  
 Element may be present  
 O  
 Element may be present  
 P  
 Element may be present  
 S  
 Element may be present  
 F  
 Element may be present  
 Cl  
 Element may be present  
 Br  
 Element may be present  
 I  
 Element may be present  
 other 
 Element must be absent  


 Elemental Composition of Reference Structures 
 Total number of reference compounds: 
144,833,798
 Compounds containing:  N  
 137,193,882 
 Compounds containing:  O  
 132,274,161 
 Compounds containing:  P  
 824,792 
 Compounds containing:  S  
 38,732,013 
 Compounds containing:  F  
 26,618,673 
 Compounds containing:  Cl  
 15,032,432 
 Compounds containing:  Br  
 9,103,558 
 Compounds containing:  I  
 1,175,064 
 Compounds containing:  other 
 1,206,973 


 Available entries at each Screening-Step 
  Total number of entries: 
    144,833,798  
  Applying requested elemental composition: 
    143,626,825   entries remain  
  Applying requested number of signals: 
    143,626,825   entries remain  





Entries per line found out of 143,626,825 compounds

 Line number 

 Chemical Shift (ppm) 

 Multiplicity 

 Deviation (ppm) 

 Entries found 

 Evaluation result 
  1 
  164.50 
 ? 
  3.00 
 44,702,202 
 Unspecific line  
  2 
  98.20 
 ? 
  3.00 
 7,899,011 
 Unspecific line  
  3 
  167.20 
 ? 
  3.00 
 46,638,000 
 Unspecific line  
  4 
  93.40 
 ? 
  3.00 
 5,156,170 
 Unspecific line  
  5 
  158.70 
 ? 
  3.00 
 59,432,721 
 Unspecific line  
  6 
  134.30 
 ? 
  3.00 
 69,306,164 
 Unspecific line  
  7 
  148.00 
 ? 
  3.00 
 44,289,399 
 Unspecific line  
  8 
  119.60 
 ? 
  3.00 
 60,583,369 
 Unspecific line  
  9 
  113.30 
 ? 
  3.00 
 49,271,814 
 Unspecific line  
 10 
  115.70 
 ? 
  3.00 
 54,930,635 
 Unspecific line  
 11 
  181.50 
 ? 
  3.00 
 6,246,282 
 Unspecific line  
 12 
  104.30 
 ? 
  3.00 
 16,675,965 
 Unspecific line  
 13 
  147.50 
 ? 
  3.00 
 44,618,391 
 Unspecific line  
 14 
  122.50 
 ? 
  3.00 
 69,781,813 
 Unspecific line  
 15 
  132.20 
 ? 
  3.00 
 74,950,508 
 Unspecific line  
 16 
  78.60 
 ? 
  3.00 
 21,423,340 
 Unspecific line  
 17 
  28.60 
 ? 
  3.00 
 85,381,887 
 Unspecific line  
 18 
  56.40 
 ? 
  3.00 
 63,757,012 
 Unspecific line  




Spectrum


 Number of coincident lines versus number of entries 

 Number of coincident lines 
18 Lines given


 Number of entries 

 Further Processing 
 18 
 21 
 Selected for detailled analysis 
 17 
 681 
 Selected for detailled analysis 
 16 
 5,203 
 Selected for detailled analysis 
 15 
 26,674 
   
 14 
 120,959 
   
 13 
 482,701 
   
 12 
 1,518,420 
   
 11 
 3,754,025 
   
 10 
 7,316,890 
   
  9 
 11,641,141 
   
  8 
 15,648,442 
   
  7 
 18,149,642 
   
  6 
 18,424,043 
   
  5 
 16,847,618 
   
  4 
 15,004,444 
   
  3 
 13,655,563 
   
  2 
 11,880,082 
   
  1 
 7,364,340 
   

 

Best 20 Proposals shown for Compound: Forbexanthone


   1.82 - 1.82ppm  
    1x found   
   LOVOTONXXBWEEL   
 
      
   2.03 - 2.03ppm  
    1x found   
   NZIANEPQOIXOGI   
 
      
   2.10 - 2.10ppm  
    1x found   
   BMRPPBOVZCXJLM   
 
      
   2.23 - 2.23ppm  
    1x found   
   VKSJLDQAVRCSPL   
 
      
   2.26 - 2.34ppm  
    2x found   
   NBAWIKFNFWOFRT   
 
      
   2.27 - 2.27ppm  
    1x found   
   WERCBVZGNWWFIL   
 
      
   2.29 - 2.29ppm  
    1x found   
   FPECCRDHTWVNFW   
 
      
   2.32 - 2.32ppm  
    1x found   
   GWBXZQDRCLYZIP   
 
      
   2.41 - 2.41ppm  
    1x found   
   KQMXTGOLNWMWML   
 
      
   2.41 - 2.41ppm  
    1x found   
   LLECSJWFKSKWSI   
 
      
   2.44 - 2.44ppm  
    1x found   
   HPBXXKPUKGNONL   
 
      
   2.48 - 2.48ppm  
    1x found   
   FARFZQNVSOJULQ   
 
      
   2.49 - 2.49ppm  
    1x found   
   ULBHYLFUEKDETJ   
 
      
   2.53 - 2.53ppm  
    1x found   
   HNGFDYDYOQVEPR   
 
      
   2.54 - 2.54ppm  
    1x found   
   LOPPXGANJWGNHK   
 
      
   2.55 - 2.55ppm  
    1x found   
   OYIIRHRYYXKHHG   
 
      
   2.55 - 2.61ppm  
    4x found   
   JOJDSZIPMXOBLL   
 
      
   2.56 - 2.56ppm  
    1x found   
   IPYSPVLEYMUDMN   
 
      
   2.57 - 2.57ppm  
    1x found   
   SOBUPDJFMNHVQS   
 
      
   2.57 - 2.64ppm  
    4x found   
   AWIJZJKQVBMQJN   
 
      



5,905 Structure proposals found for your C-NMR Spectrum





1,000 Entries will be shown because of predefined program limits


 Similarity 
(ppm)		  Structure Diagram   Molecular Formula 
Molecular Weight		  InChIkey   Experimental Data 
 in CSEARCH 

 Proposal #1 



  1.82 

Details 		Structure diagram  C28H32O16 

MWT = 624.308 		 Proposal #1 

Structure-ID: 11,798,812

 LOVOTONXXBWEEL-AZNVYWAABZ 		  

 Proposal #2 



  2.03 

Details

Different pattern		 Structure diagram  C23H20O8 

MWT = 424.253 		 Proposal #2 

Structure-ID: 118,771,427

 NZIANEPQOIXOGI-UHFFFAOYAM 		  

 Proposal #3 



  2.10 

Details 		Structure diagram  C21H18O7 

MWT = 382.231 		 Proposal #3 

Structure-ID: 27,347,190

 BMRPPBOVZCXJLM-UHFFFAOYAL 		  

 Proposal #4 



  2.23 

Details

Different pattern		 Structure diagram  C28H32O15 

MWT = 608.308 		 Proposal #4 

Structure-ID: 117,986,454

 VKSJLDQAVRCSPL-UHFFFAOYAT 		  

 Proposal #5 



  2.26 

Details

Different pattern		 Structure diagram  C37H32O13 

MWT = 684.407 		 Proposal #5 

Structure-ID: 117,771,479

 NBAWIKFNFWOFRT-UHFFFAOYAZ 		  

 Proposal #6 



  2.27 

Details

Different pattern		 Structure diagram  C38H34O10 

MWT = 650.418 		 Proposal #6 

Structure-ID: 91,169,979

 WERCBVZGNWWFIL-UHFFFAOYAK 		  

 Proposal #7 



  2.29 

Details

Different pattern		 Structure diagram  C26H35NO7 

MWT = 473.294 		 Proposal #7 

Structure-ID: 94,646,198

 FPECCRDHTWVNFW-UHFFFAOYAM 		  

 Proposal #8 



  2.32 

Details 		Structure diagram  C22H21N3O5 

MWT = 407.266 		 Proposal #8 

Structure-ID: 117,144,515

 GWBXZQDRCLYZIP-UHFFFAOYAR 		  

 Proposal #9 



  2.34 

Details

Different pattern		 Structure diagram  C37H32O13 

MWT = 684.407 		 Proposal #9 

Structure-ID: 144,693,112

 NBAWIKFNFWOFRT-PUEWSABSBK 		  

 Proposal #10 



  2.41 

Details

Different pattern		 Structure diagram  C28H37NO8 

MWT = 515.316 		 Proposal #10 

Structure-ID: 99,195,486

 KQMXTGOLNWMWML-UHFFFAOYAM 		  

 Proposal #11 



  2.41 

Details

Different pattern		 Structure diagram  C38H40O18 

MWT = 784.418 		 Proposal #11 

Structure-ID: 118,646,041

 LLECSJWFKSKWSI-UHFFFAOYAB 		  

 Proposal #12 



  2.44 

Details

Different pattern		 Structure diagram  C38H43N7O11 

MWT = 773.474 		 Proposal #12 

Structure-ID: 117,846,848

 HPBXXKPUKGNONL-UHFFFAOYAU 		  

 Proposal #13 



  2.48 

Details

Different pattern		 Structure diagram  C21H20O8 

MWT = 400.231 		 Proposal #13 

Structure-ID: 118,399,535

 FARFZQNVSOJULQ-UHFFFAOYAZ 		  

 Proposal #14 



  2.49 

Details

Different pattern		 Structure diagram  C26H28O8 

MWT = 468.286 		 Proposal #14 

Structure-ID: 118,038,556

 ULBHYLFUEKDETJ-UHFFFAOYAX 		  Availability of 
NMR-Data 
 in CSEARCH 

 Proposal #15 



  2.53 

Details

Different pattern		 Structure diagram  C33H33F3N8O 

MWT = 614.427 		 Proposal #15 

Structure-ID: 97,899,600

 HNGFDYDYOQVEPR-LTGZKZEYBS 		  

 Proposal #16 



  2.54 

Details

Different pattern		 Structure diagram  C23H16ClFN2O2 

MWT = 406.726 		 Proposal #16 

Structure-ID: 90,756,543

 LOPPXGANJWGNHK-UHFFFAOYAD 		  

 Proposal #17 



  2.55 

Details

Different pattern		 Structure diagram  C29H34O15 

MWT = 622.319 		 Proposal #17 

Structure-ID: 117,731,046

 OYIIRHRYYXKHHG-UHFFFAOYAP 		  

 Proposal #18 



  2.55 

Details

Different pattern		 Structure diagram  C32H34O10 

MWT = 578.352 		 Proposal #18 

Structure-ID: 23,524,784

 JOJDSZIPMXOBLL-BHBYDHKZBX 		  

 Proposal #19 



  2.56 

Details 		Structure diagram  C26H25IO6 

MWT = 560.196 		 Proposal #19 

Structure-ID: 35,514,191

 IPYSPVLEYMUDMN-UHFFFAOYAX 		  

 Proposal #20 



  2.57 

Details

Different pattern		 Structure diagram  C39H34F2O14 

MWT = 764.428 		 Proposal #20 

Structure-ID: 66,911,491

 SOBUPDJFMNHVQS-BYEXVSDQBI 		  

 Proposal #21 



  2.57 

Details

Different pattern		 Structure diagram  C30H30O10 

MWT = 550.330 		 Proposal #21 

Structure-ID: 23,919,937

 AWIJZJKQVBMQJN-NAKRPHOHBW 		  



Detailled Analysis



Structure Proposal #1

 Structure 
 Similarity Measure 
Structure

Deviation = 1.82 ppm
Similarity = 89 %

C28H32O16

MWT = 624.31

  Search Web for this structure:  

LOVOTONXXBWEEL

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #2

 Structure 
 Similarity Measure 
Structure

Deviation = 2.03 ppm
Similarity = 91 %
(Different pattern)

C23H20O8

MWT = 424.25

  Search Web for this structure:  

NZIANEPQOIXOGI

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #3

 Structure 
 Similarity Measure 
Structure

Deviation = 2.10 ppm
Similarity = 90 %

C21H18O7

MWT = 382.23

  Search Web for this structure:  

BMRPPBOVZCXJLM

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
2D Structure Representation
 2D Matching Map 
Structure
2D Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #4

 Structure 
 Similarity Measure 
Structure

Deviation = 2.23 ppm
Similarity = 84 %
(Different pattern)

C28H32O15

MWT = 608.31

  Search Web for this structure:  

VKSJLDQAVRCSPL

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #5

 Structure 
 Similarity Measure 
Structure

Deviation = 2.26 ppm
Similarity = 82 %
(Different pattern)

C37H32O13

MWT = 684.41

  Search Web for this structure:  

NBAWIKFNFWOFRT

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #6

 Structure 
 Similarity Measure 
Structure

Deviation = 2.27 ppm
Similarity = 93 %
(Different pattern)

C38H34O10

MWT = 650.42

  Search Web for this structure:  

WERCBVZGNWWFIL

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #7

 Structure 
 Similarity Measure 
Structure

Deviation = 2.29 ppm
Similarity = 83 %
(Different pattern)

C26H35NO7

MWT = 473.29

  Search Web for this structure:  

FPECCRDHTWVNFW

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #8

 Structure 
 Similarity Measure 
Structure

Deviation = 2.32 ppm
Similarity = 86 %

C22H21N3O5

MWT = 407.27

  Search Web for this structure:  

GWBXZQDRCLYZIP

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #9

 Structure 
 Similarity Measure 
Structure

Deviation = 2.34 ppm
Similarity = 86 %
(Different pattern)

C37H32O13

MWT = 684.41

  Search Web for this structure:  

NBAWIKFNFWOFRT

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #10

 Structure 
 Similarity Measure 
Structure

Deviation = 2.41 ppm
Similarity = 82 %
(Different pattern)

C28H37NO8

MWT = 515.32

  Search Web for this structure:  

KQMXTGOLNWMWML

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #11

 Structure 
 Similarity Measure 
Structure

Deviation = 2.41 ppm
Similarity = 83 %
(Different pattern)

C38H40O18

MWT = 784.42

  Search Web for this structure:  

LLECSJWFKSKWSI

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #12

 Structure 
 Similarity Measure 
Structure

Deviation = 2.44 ppm
Similarity = 74 %
(Different pattern)

C38H43N7O11

MWT = 773.47

  Search Web for this structure:  

HPBXXKPUKGNONL

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #13

 Structure 
 Similarity Measure 
Structure

Deviation = 2.48 ppm
Similarity = 88 %
(Different pattern)

C21H20O8

MWT = 400.23

  Search Web for this structure:  

FARFZQNVSOJULQ

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #14

 Structure 
 Similarity Measure 
Structure

Deviation = 2.49 ppm
Similarity = 79 %
(Different pattern)

C26H28O8

MWT = 468.29

  Search Web for this structure:  

ULBHYLFUEKDETJ

Availability

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #15

 Structure 
 Similarity Measure 
Structure

Deviation = 2.53 ppm
Similarity = 82 %
(Different pattern)

C33H33F3N8O

MWT = 614.43

  Search Web for this structure:  

HNGFDYDYOQVEPR

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #16

 Structure 
 Similarity Measure 
Structure

Deviation = 2.54 ppm
Similarity = 89 %
(Different pattern)

C23H16ClFN2O2

MWT = 406.73

  Search Web for this structure:  

LOPPXGANJWGNHK

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #17

 Structure 
 Similarity Measure 
Structure

Deviation = 2.55 ppm
Similarity = 79 %
(Different pattern)

C29H34O15

MWT = 622.32

  Search Web for this structure:  

OYIIRHRYYXKHHG

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #18

 Structure 
 Similarity Measure 
Structure

Deviation = 2.55 ppm
Similarity = 81 %
(Different pattern)

C32H34O10

MWT = 578.35

  Search Web for this structure:  

JOJDSZIPMXOBLL

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
2D Structure Representation
 2D Matching Map 
Structure
2D Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #19

 Structure 
 Similarity Measure 
Structure

Deviation = 2.56 ppm
Similarity = 90 %

C26H25IO6

MWT = 560.20

  Search Web for this structure:  

IPYSPVLEYMUDMN

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #20

 Structure 
 Similarity Measure 
Structure

Deviation = 2.57 ppm
Similarity = 85 %
(Different pattern)

C39H34F2O14

MWT = 764.43

  Search Web for this structure:  

SOBUPDJFMNHVQS

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #21

 Structure 
 Similarity Measure 
Structure

Deviation = 2.57 ppm
Similarity = 80 %
(Different pattern)

C30H30O10

MWT = 550.33

  Search Web for this structure:  

AWIJZJKQVBMQJN

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
2D Structure Representation
 2D Matching Map 
Structure
2D Matching Map
Spectrum
Spectrum

Back to Complete Result

Summary of the 20 most frequently occurring parent ring systems
within the 178 best-fitting entries




Occurence:

33 in 178		 Structure
Occurence:

4 in 178		 Structure
Occurence:

3 in 178		 Structure
Occurence:

3 in 178		 Structure
Occurence:

2 in 178		 Structure
Occurence:

2 in 178		 Structure
Occurence:

2 in 178		 Structure
Occurence:

2 in 178		 Structure
Occurence:

2 in 178		 Structure
Occurence:

2 in 178		 Structure
Occurence:

2 in 178		 Structure
Occurence:

2 in 178		 Structure
Occurence:

2 in 178		 Structure
Occurence:

2 in 178		 Structure
Occurence:

2 in 178		 Structure
Occurence:

2 in 178		 Structure
Occurence:

2 in 178		 Structure
Occurence:

2 in 178		 Structure
Occurence:

2 in 178		 Structure
Occurence:

2 in 178		 Structure


Summary of the 20 most frequently occurring parent ring systems
within the 4560 best-fitting entries




Occurence:

57 in 4560		 Structure
Occurence:

22 in 4560		 Structure
Occurence:

21 in 4560		 Structure
Occurence:

20 in 4560		 Structure
Occurence:

19 in 4560		 Structure
Occurence:

19 in 4560		 Structure
Occurence:

18 in 4560		 Structure
Occurence:

18 in 4560		 Structure
Occurence:

16 in 4560		 Structure
Occurence:

16 in 4560		 Structure
Occurence:

15 in 4560		 Structure
Occurence:

14 in 4560		 Structure
Occurence:

14 in 4560		 Structure
Occurence:

14 in 4560		 Structure
Occurence:

14 in 4560		 Structure
Occurence:

13 in 4560		 Structure
Occurence:

12 in 4560		 Structure
Occurence:

11 in 4560		 Structure
Occurence:

10 in 4560		 Structure
Occurence:

10 in 4560		 Structure


Summary of Processing


 Checking existence of data and counting them: 
144,833,798 entries in 2.616 seconds 
  Applying restraints from elemental composition:  
  7.417 seconds, 143,626,825 entries remain  
  Applying restraints from number of signals:  
  4.063 seconds, 143,626,825 entries remain  
 Searching 2,390,716,602 chemical shift values line-per-line: 
  144.432 seconds 
 Best 5,905 entries selected for analysis: 
  20.663 seconds 
 Ranking of 5,905 entries by similarity: 
  724.161 seconds 
 Deviation of best match: 
  1.82 ppm 
 Creating table and linking 5,905 structures to 475,802 INCHIKEY-pages: 
  2.366 seconds 
  Detailled Analysis of 21 structures including graphical representation:  
  24.227 seconds 
 Analysis of 4,560 structures for common parent ring systems: 
  0.020 seconds 
 223,018 structures processed per second 
 Total CPU-usage: 
  948.237 seconds 
 Data transferred from disk: 
 2,377 MBytes out of 2,186,577 MBytes
 Program version: 
 20210607_2-3D-zip/00
 Machine: 
 I9-9900K / 16x3.60GHz 


Page written by Wolfgang Robien using CSEARCH-Technology
Page written on 2024:11:05 at 12:18
Page finished on 2024:11:05 at 12:56

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