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SMILES:
CS(=O)(=O)c1ccc(cc1)n2nc(cc2c3ccc(F)cc3)C(F)(F)F
SDF file (One molecule only):
Library (SD format with max. 50 molecules)
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Options
Weights:
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Lipophile
0.0
0.5
1.0
1.5
2.0
Donor
0.0
0.5
1.0
1.5
2.0
Acceptor
0.0
0.5
1.0
1.5
2.0
Positive
0.0
0.5
1.0
1.5
2.0
Negative
0.0
0.5
1.0
1.5
2.0
Normalization:
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normalization1
normalization2
Fuzzify the binning Scheme (0.0 - 1.0):
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Number of hits
