High drug-likeness: Oprea filter
Oprea analyzed property distributions of physicochemical descriptors and properties in many databases containing drug-like compounds to identify optimal ranges. MDDR, Current Patents Fast-alert, CMC, Physician Desk Reference and New Chemical Entities were used as drug-like references and ACD as non drug-like data pool. The following drug-likeness constraints are applied to ilib diverse's Oprea filter:
- HDO: 0-2
- HAC: 2-9
- RB: 2-8
Oprea, T. I.
Property Distribution of Drug-Related Chemical Databases.
Journal of Computer-Aided Molecular Design (2000), 14(3), 251-64.