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C A E S A

Computer Assisted Estimation of Synthetic Accessibility


Potential Starting Materials for

Used databases: Aldrich Database, Maybridge Database

fluconazole.mol

Source file: /var/www/html/caesa_work/preprocess/top_drugs/top_drugs.sd


Starting Material Group 1
Score: 41
Source: Aldrich Database
Reference: 4737
Intermediates
Alternatives
smimg0001.png darrow smimg0002.png
Score: 41
Source: Aldrich Database
Reference: 20517
Intermediates
Alternatives
smimg0003.png darrow smimg0004.png
Score: 40
Source: Aldrich Database
Reference: 10059
Intermediates
Alternatives
smimg0005.png darrow smimg0006.png

Starting Material Group 2
Score: 80
Source: Maybridge Database
Reference: 40430
Intermediates
Alternatives
smimg0007.png darrow smimg0008.png
Score: 41
Source: Aldrich Database
Reference: 4737
Intermediates
Alternatives
smimg0009.png darrow smimg0010.png

Starting Material Group 3
Score: 80
Source: Maybridge Database
Reference: 40430
Intermediates
Alternatives
smimg0011.png darrow smimg0012.png
Score: 41
Source: Aldrich Database
Reference: 20517
Intermediates
Alternatives
smimg0013.png darrow smimg0014.png

Starting Material Group 4
Score: 40
Source: Aldrich Database
Reference: 10059
Intermediates
Alternatives
smimg0015.png darrow smimg0016.png
Score: 40
Source: Maybridge Database
Reference: 40430
Intermediates
Alternatives
smimg0017.png darrow smimg0018.png
Score: 37
Source: Maybridge Database
Reference: 54426
Intermediates
Alternatives
smimg0019.png darrow smimg0020.png
Score: 37
Source: Maybridge Database
Reference: 54426
Intermediates
Alternatives
smimg0021.png darrow smimg0022.png
Score: 34
Source: Maybridge Database
Reference: 40430
Intermediates
Alternatives
smimg0023.png darrow smimg0024.png
Score: 34
Source: Maybridge Database
Reference: 40430
Intermediates
Alternatives
smimg0025.png darrow smimg0026.png
Score: 31
Source: Maybridge Database
Reference: 40430
Intermediates
Alternatives
smimg0027.png darrow smimg0028.png
Score: 30
Source: Aldrich Database
Reference: 14939
Intermediates
Alternatives
smimg0029.png darrow smimg0030.png
Score: 27
Source: Maybridge Database
Reference: 68246
Intermediates
Alternatives
smimg0031.png darrow smimg0032.png
Score: 27
Source: Maybridge Database
Reference: 68246
Intermediates
Alternatives
smimg0033.png darrow smimg0034.png
Score: 22
Source: Aldrich Database
Reference: 9575
Intermediates
Alternatives
smimg0035.png darrow smimg0036.png
Score: 22
Source: Aldrich Database
Reference: 10059
Intermediates
Alternatives
smimg0037.png darrow smimg0038.png
Score: 22
Source: Aldrich Database
Reference: 10059
Intermediates
Alternatives
smimg0039.png darrow smimg0040.png
Score: 21
Source: Maybridge Database
Reference: 70159
Intermediates
Alternatives
smimg0041.png darrow smimg0042.png