Spectral Similarity Search based on
111,570,000 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 13:41   


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: 
111,570,000
 Compounds containing:  N  
 106,401,826 
 Compounds containing:  O  
 102,882,141 
 Compounds containing:  P  
 89,425 
 Compounds containing:  S  
 24,100,614 
 Compounds containing:  F  
 19,256,576 
 Compounds containing:  Cl  
 9,857,650 
 Compounds containing:  Br  
 4,207,971 
 Compounds containing:  I  
 479,114 
 Compounds containing:  other 
 108,785 


 Available entries at each Screening-Step 
  Total number of entries: 
    111,570,000  
  Applying requested elemental composition: 
    111,461,215   entries remain  
  Applying requested number of signals: 
    111,461,215   entries remain  





Entries per line found out of 111,461,215 compounds

 Line number 

 Chemical Shift (ppm) 

 Multiplicity 

 Deviation (ppm) 

 Entries found 

 Evaluation result 
  1 
  164.50 
 ? 
  3.00 
 34,671,186 
 Unspecific line  
  2 
  98.20 
 ? 
  3.00 
 6,584,062 
 Unspecific line  
  3 
  167.20 
 ? 
  3.00 
 36,573,942 
 Unspecific line  
  4 
  93.40 
 ? 
  3.00 
 4,481,237 
 Unspecific line  
  5 
  158.70 
 ? 
  3.00 
 44,771,508 
 Unspecific line  
  6 
  134.30 
 ? 
  3.00 
 51,029,123 
 Unspecific line  
  7 
  148.00 
 ? 
  3.00 
 32,699,065 
 Unspecific line  
  8 
  119.60 
 ? 
  3.00 
 44,687,284 
 Unspecific line  
  9 
  113.30 
 ? 
  3.00 
 37,644,643 
 Unspecific line  
 10 
  115.70 
 ? 
  3.00 
 41,542,513 
 Unspecific line  
 11 
  181.50 
 ? 
  3.00 
 4,532,798 
 Unspecific line  
 12 
  104.30 
 ? 
  3.00 
 13,260,557 
 Unspecific line  
 13 
  147.50 
 ? 
  3.00 
 32,913,304 
 Unspecific line  
 14 
  122.50 
 ? 
  3.00 
 51,116,090 
 Unspecific line  
 15 
  132.20 
 ? 
  3.00 
 54,933,651 
 Unspecific line  
 16 
  78.60 
 ? 
  3.00 
 17,220,559 
 Unspecific line  
 17 
  28.60 
 ? 
  3.00 
 64,356,295 
 Unspecific line  
 18 
  56.40 
 ? 
  3.00 
 49,435,245 
 Unspecific line  




Spectrum


 Number of coincident lines versus number of entries 

 Number of coincident lines 
18 Lines given


 Number of entries 

 Further Processing 
 18 
 10 
 Selected for detailled analysis 
 17 
 133 
 Selected for detailled analysis 
 16 
 2,496 
 Selected for detailled analysis 
 15 
 23,839 
   
 14 
 119,319 
   
 13 
 468,270 
   
 12 
 1,345,223 
   
 11 
 3,057,486 
   
 10 
 5,610,956 
   
  9 
 8,552,805 
   
  8 
 11,259,344 
   
  7 
 13,019,321 
   
  6 
 13,337,599 
   
  5 
 12,602,468 
   
  4 
 11,744,901 
   
  3 
 11,112,945 
   
  2 
 10,027,712 
   
  1 
 6,813,501 
   

 

Best 20 Proposals shown for Compound: Forbexanthone


   1.89 - 1.89ppm  
    1x found   
   YNWUVDJAFPSWDM   
 
      
   2.06 - 2.06ppm  
    1x found   
   JDNRLEDQUOYSPS   
 
      
   2.06 - 2.10ppm  
    2x found   
   QHXYPLIKIOHDHQ   
 
      
   2.12 - 2.12ppm  
    1x found   
   PBPYHFWRSVYWAZ   
 
      
   2.24 - 2.24ppm  
    1x found   
   VULQLTOYHNVASU   
 
      
   2.24 - 2.24ppm  
    1x found   
   HWZOGELYLBCAHM   
 
      
   2.27 - 2.27ppm  
    1x found   
   PQPGLMPQNHBXON   
 
      
   2.44 - 2.44ppm  
    1x found   
   RMLDGROOTDFTCL   
 
      
   2.45 - 2.45ppm  
    1x found   
   PYMDTGNTRMSSGF   
 
      
   2.46 - 2.46ppm  
    1x found   
   HXYDGAWCFNTNGI   
 
      
   2.48 - 2.48ppm  
    1x found   
   HKLZTYORFMETHX   
 
      
   2.50 - 2.50ppm  
    1x found   
   LCGFAZIBUURPDA   
 
      
   2.50 - 2.50ppm  
    1x found   
   NGLNFRQYRKAJJV   
 
      
   2.51 - 2.51ppm  
    1x found   
   QVZMXQYIIGURQW   
 
      
   2.55 - 2.55ppm  
    1x found   
   RMVZUAIZGGPXDC   
 
      
   2.56 - 2.56ppm  
    1x found   
   ONHAMRKWMJWYTR   
 
      
   2.56 - 2.56ppm  
    1x found   
   KOINQBSLUHJYRH   
 
      
   2.58 - 2.58ppm  
    1x found   
   XWEFVEFGSLLUFG   
 
      
   2.60 - 2.60ppm  
    1x found   
   ZBVLMEYGYPTOFY   
 
      
   2.61 - 2.61ppm  
    1x found   
   JNHKHVGMCKVKLN   
 
      



2,639 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 



  1.89 

Details 		Structure diagram  C18H21N3O5 

MWT = 359.222 		 Proposal #1 

Structure-ID: 18,980,094

 YNWUVDJAFPSWDM-UHFFFAOYAS 		  

 Proposal #2 



  2.06 

Details 		Structure diagram  C30H30O6 

MWT = 486.330 		 Proposal #2 

Structure-ID: 29,529,826

 JDNRLEDQUOYSPS-UHFFFAOYAE 		  

 Proposal #3 



  2.06 

Details

Different pattern		 Structure diagram  C39H34N2O9 

MWT = 674.445 		 Proposal #3 

Structure-ID: 67,678,965

 QHXYPLIKIOHDHQ-FYWRMAATBO 		  

 Proposal #4 



  2.10 

Details

Different pattern		 Structure diagram  C39H34N2O9 

MWT = 674.445 		 Proposal #4 

Structure-ID: 66,162,413

 QHXYPLIKIOHDHQ-UHFFFAOYAG 		  

 Proposal #5 



  2.12 

Details

Different pattern		 Structure diagram  C30H25NO10 

MWT = 559.338 		 Proposal #5 

Structure-ID: 6,922,040

 PBPYHFWRSVYWAZ-UHFFFAOYAJ 		  

 Proposal #6 



  2.24 

Details

Different pattern		 Structure diagram  C39H34N2O9 

MWT = 674.445 		 Proposal #6 

Structure-ID: 67,678,964

 VULQLTOYHNVASU-DTKYWWSABH 		  

 Proposal #7 



  2.24 

Details

Different pattern		 Structure diagram  C34H30N2O10 

MWT = 626.390 		 Proposal #7 

Structure-ID: 7,000,723

 HWZOGELYLBCAHM-UHFFFAOYAB 		  

 Proposal #8 



  2.27 

Details

Different pattern		 Structure diagram  C35H30N2O10 

MWT = 638.401 		 Proposal #8 

Structure-ID: 67,678,962

 PQPGLMPQNHBXON-IQVPAFILBZ 		  Availability of 
NMR-Data 
 in CSEARCH 

 Proposal #9 



  2.44 

Details

Different pattern		 Structure diagram  C20H19NO4 

MWT = 337.228 		 Proposal #9 

Structure-ID: 94,487,031

 RMLDGROOTDFTCL-UHFFFAOYAK 		  

 Proposal #10 



  2.45 

Details

Different pattern		 Structure diagram  C34H25NO9 

MWT = 591.382 		 Proposal #10 

Structure-ID: 6,957,624

 PYMDTGNTRMSSGF-UHFFFAOYAG 		  

 Proposal #11 



  2.46 

Details

Different pattern		 Structure diagram  C31H27NO10 

MWT = 573.349 		 Proposal #11 

Structure-ID: 6,997,333

 HXYDGAWCFNTNGI-QGOAFFKABL 		  

 Proposal #12 



  2.48 

Details

Different pattern		 Structure diagram  C35H27NO10 

MWT = 621.393 		 Proposal #12 

Structure-ID: 6,960,696

 HKLZTYORFMETHX-PXLXIMEGBN 		  

 Proposal #13 



  2.50 

Details 		Structure diagram  C28H23NO9 

MWT = 517.316 		 Proposal #13 

Structure-ID: 85,668,115

 LCGFAZIBUURPDA-GEVKEYJPBE 		  

 Proposal #14 



  2.50 

Details

Different pattern		 Structure diagram  C28H24F3NO6 

MWT = 527.316 		 Proposal #14 

Structure-ID: 66,680,568

 NGLNFRQYRKAJJV-UHFFFAOYAE 		  

 Proposal #15 



  2.51 

Details

Different pattern		 Structure diagram  C21H20O8 

MWT = 400.231 		 Proposal #15 

Structure-ID: 65,148,173

 QVZMXQYIIGURQW-INIZCTEOBJ 		  

 Proposal #16 



  2.55 

Details

Different pattern		 Structure diagram  C35H45NO6 

MWT = 575.393 		 Proposal #16 

Structure-ID: 6,975,897

 RMVZUAIZGGPXDC-UHFFFAOYAG 		  

 Proposal #17 



  2.56 

Details 		Structure diagram  C60H48N10O5 

MWT = 988.739 		 Proposal #17 

Structure-ID: 59,404,916

 ONHAMRKWMJWYTR-DFDICYFRBD 		  

 Proposal #18 



  2.56 

Details

Different pattern		 Structure diagram  C34H43NO6 

MWT = 561.382 		 Proposal #18 

Structure-ID: 6,964,498

 KOINQBSLUHJYRH-UHFFFAOYAY 		  

 Proposal #19 



  2.58 

Details

Different pattern		 Structure diagram  C39H50O22 

MWT = 870.429 		 Proposal #19 

Structure-ID: 95,182,092

 XWEFVEFGSLLUFG-VJIGNVPTBX 		  Availability of 
NMR-Data 
 in CSEARCH 

 Proposal #20 



  2.60 

Details

Different pattern		 Structure diagram  C29H27F2NO6 

MWT = 523.327 		 Proposal #20 

Structure-ID: 64,794,141

 ZBVLMEYGYPTOFY-UHFFFAOYAE 		  

 Proposal #21 



  2.61 

Details

Different pattern		 Structure diagram  C23H26N2O5 

MWT = 410.269 		 Proposal #21 

Structure-ID: 64,238,712

 JNHKHVGMCKVKLN-UHFFFAOYAT 		  



Detailled Analysis



Structure Proposal #1

 Structure 
 Similarity Measure 
Structure

Deviation = 1.89 ppm
Similarity = 94 %

C18H21N3O5

MWT = 359.22

  Search Web for this structure:  

YNWUVDJAFPSWDM

 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 #2

 Structure 
 Similarity Measure 
Structure

Deviation = 2.06 ppm
Similarity = 88 %

C30H30O6

MWT = 486.33

  Search Web for this structure:  

JDNRLEDQUOYSPS

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #3

 Structure 
 Similarity Measure 
Structure

Deviation = 2.06 ppm
Similarity = 88 %
(Different pattern)

C39H34N2O9

MWT = 674.44

  Search Web for this structure:  

QHXYPLIKIOHDHQ

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #4

 Structure 
 Similarity Measure 
Structure

Deviation = 2.10 ppm
Similarity = 88 %
(Different pattern)

C39H34N2O9

MWT = 674.44

  Search Web for this structure:  

QHXYPLIKIOHDHQ

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #5

 Structure 
 Similarity Measure 
Structure

Deviation = 2.12 ppm
Similarity = 90 %
(Different pattern)

C30H25NO10

MWT = 559.34

  Search Web for this structure:  

PBPYHFWRSVYWAZ

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #6

 Structure 
 Similarity Measure 
Structure

Deviation = 2.24 ppm
Similarity = 88 %
(Different pattern)

C39H34N2O9

MWT = 674.44

  Search Web for this structure:  

VULQLTOYHNVASU

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #7

 Structure 
 Similarity Measure 
Structure

Deviation = 2.24 ppm
Similarity = 87 %
(Different pattern)

C34H30N2O10

MWT = 626.39

  Search Web for this structure:  

HWZOGELYLBCAHM

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #8

 Structure 
 Similarity Measure 
Structure

Deviation = 2.27 ppm
Similarity = 90 %
(Different pattern)

C35H30N2O10

MWT = 638.40

  Search Web for this structure:  

PQPGLMPQNHBXON

Availability

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #9

 Structure 
 Similarity Measure 
Structure

Deviation = 2.44 ppm
Similarity = 93 %
(Different pattern)

C20H19NO4

MWT = 337.23

  Search Web for this structure:  

RMLDGROOTDFTCL

 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 #10

 Structure 
 Similarity Measure 
Structure

Deviation = 2.45 ppm
Similarity = 87 %
(Different pattern)

C34H25NO9

MWT = 591.38

  Search Web for this structure:  

PYMDTGNTRMSSGF

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #11

 Structure 
 Similarity Measure 
Structure

Deviation = 2.46 ppm
Similarity = 87 %
(Different pattern)

C31H27NO10

MWT = 573.35

  Search Web for this structure:  

HXYDGAWCFNTNGI

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #12

 Structure 
 Similarity Measure 
Structure

Deviation = 2.48 ppm
Similarity = 83 %
(Different pattern)

C35H27NO10

MWT = 621.39

  Search Web for this structure:  

HKLZTYORFMETHX

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #13

 Structure 
 Similarity Measure 
Structure

Deviation = 2.50 ppm
Similarity = 82 %

C28H23NO9

MWT = 517.32

  Search Web for this structure:  

LCGFAZIBUURPDA

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #14

 Structure 
 Similarity Measure 
Structure

Deviation = 2.50 ppm
Similarity = 91 %
(Different pattern)

C28H24F3NO6

MWT = 527.32

  Search Web for this structure:  

NGLNFRQYRKAJJV

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #15

 Structure 
 Similarity Measure 
Structure

Deviation = 2.51 ppm
Similarity = 86 %
(Different pattern)

C21H20O8

MWT = 400.23

  Search Web for this structure:  

QVZMXQYIIGURQW

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #16

 Structure 
 Similarity Measure 
Structure

Deviation = 2.55 ppm
Similarity = 87 %
(Different pattern)

C35H45NO6

MWT = 575.39

  Search Web for this structure:  

RMVZUAIZGGPXDC

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #17

 Structure 
 Similarity Measure 
Structure

Deviation = 2.56 ppm
Similarity = 93 %

C60H48N10O5

MWT = 988.74

  Search Web for this structure:  

ONHAMRKWMJWYTR

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #18

 Structure 
 Similarity Measure 
Structure

Deviation = 2.56 ppm
Similarity = 87 %
(Different pattern)

C34H43NO6

MWT = 561.38

  Search Web for this structure:  

KOINQBSLUHJYRH

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #19

 Structure 
 Similarity Measure 
Structure

Deviation = 2.58 ppm
Similarity = 73 %
(Different pattern)

C39H50O22

MWT = 870.43

  Search Web for this structure:  

XWEFVEFGSLLUFG

Availability

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #20

 Structure 
 Similarity Measure 
Structure

Deviation = 2.60 ppm
Similarity = 91 %
(Different pattern)

C29H27F2NO6

MWT = 523.33

  Search Web for this structure:  

ZBVLMEYGYPTOFY

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Structure Proposal #21

 Structure 
 Similarity Measure 
Structure

Deviation = 2.61 ppm
Similarity = 91 %
(Different pattern)

C23H26N2O5

MWT = 410.27

  Search Web for this structure:  

JNHKHVGMCKVKLN

 Predicted Chemical Shiftvalues 
 Matching Map 
Structure
Matching Map
Spectrum
Spectrum

Back to Complete Result

Summary of the 20 most frequently occurring parent ring systems
within the 87 best-fitting entries




Occurence:

5 in 87		 Structure
Occurence:

4 in 87		 Structure
Occurence:

4 in 87		 Structure
Occurence:

2 in 87		 Structure
Occurence:

2 in 87		 Structure
Occurence:

2 in 87		 Structure
Occurence:

2 in 87		 Structure
Occurence:

2 in 87		 Structure
Occurence:

2 in 87		 Structure
Occurence:

2 in 87		 Structure
Occurence:

1 in 87		 Structure
Occurence:

1 in 87		 Structure
Occurence:

1 in 87		 Structure
Occurence:

1 in 87		 Structure
Occurence:

1 in 87		 Structure
Occurence:

1 in 87		 Structure
Occurence:

1 in 87		 Structure
Occurence:

1 in 87		 Structure
Occurence:

1 in 87		 Structure
Occurence:

1 in 87		 Structure


Summary of the 20 most frequently occurring parent ring systems
within the 2528 best-fitting entries




Occurence:

51 in 2528		 Structure
Occurence:

50 in 2528		 Structure
Occurence:

36 in 2528		 Structure
Occurence:

27 in 2528		 Structure
Occurence:

27 in 2528		 Structure
Occurence:

25 in 2528		 Structure
Occurence:

22 in 2528		 Structure
Occurence:

22 in 2528		 Structure
Occurence:

19 in 2528		 Structure
Occurence:

19 in 2528		 Structure
Occurence:

18 in 2528		 Structure
Occurence:

17 in 2528		 Structure
Occurence:

15 in 2528		 Structure
Occurence:

15 in 2528		 Structure
Occurence:

15 in 2528		 Structure
Occurence:

14 in 2528		 Structure
Occurence:

13 in 2528		 Structure
Occurence:

13 in 2528		 Structure
Occurence:

13 in 2528		 Structure
Occurence:

13 in 2528		 Structure


Summary of Processing


 Checking existence of data and counting them: 
111,570,000 entries in 1.603 seconds 
  Applying restraints from elemental composition:  
  6.702 seconds, 111,461,215 entries remain  
  Applying restraints from number of signals:  
  2.390 seconds, 111,461,215 entries remain  
 Searching 1,728,294,132 chemical shift values line-per-line: 
  84.780 seconds 
 Best 2,639 entries selected for analysis: 
  13.511 seconds 
 Ranking of 2,639 entries by similarity: 
  194.641 seconds 
 Deviation of best match: 
  1.89 ppm 
 Creating table and linking 2,639 structures to 475,802 INCHIKEY-pages: 
  1.837 seconds 
  Detailled Analysis of 21 structures including graphical representation:  
  16.357 seconds 
 Analysis of 2,528 structures for common parent ring systems: 
  0.007 seconds 
 368,167 structures processed per second 
 Total CPU-usage: 
  333.020 seconds 
 Data transferred from disk: 
 2,006 MBytes out of 1,614,153 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 13:41
Page finished on 2024:11:05 at 13:53

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