High drug-likeness: Walters & Murcko filter
Walters and Murcko developed an extensive filter system for high drug-likeness. The following drug-likeness constraints are applied to ilib diverse's Walters & Murcko filter:
- MW: 200-500
- HDO: 0-5
- HAC: 0-10
- PSA: 0-120
- RB: 0-8
- Heavy atoms: 20-70
- Charge: -2 to +2
Walters, W. Patrick; Murcko, Mark A.
Library Filtering Systems and Prediction of Drug-Like Properties.
Methods and Principles in Medicinal Chemistry (2000), 10, 15-32.