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This measurement is based on compounds that have molecular properties within the 90 % upper bound found in the WDI (World Drug Index).
[ Brown,R.D. et al. ”Tools for designing diverse, drug-like, cost-effective combinatorial libraries”; in Combinatorial Library Design and Evaluation”, Marcel Dekker, Inc. New York, 2001, 328. ]
Descriptors | 90% cutoff | Descriptors | 90% cutoff |
MW | 550 | Kappa-2A | 12 |
Rotbond | 13 | Kappa-3A | 8 |
Hbond acceptor | 9 | CHI-V-0 | 20 |
Hbond donor | 5 | CHI-V-1 | 12 |
AlogP | 5 | CHI-V-2 | 10 |
MolRef | 120 | CHI-V-3P | 8 |
Balaban Jx | 2.8 | CHI-V-3C | 2.2 |
PHI | 8 | Wiener | 4000 |
Kappa-1A | 25 | Zabreb | 175 |
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