DrugProps Lipinski Filter
Check drug-likeness of a compound using Lipinski Rule of Five (Ro5), Veber, Pfizer 3/75, Egan, and Ghose filters. Returns MW, cLogP, HBD, HBA, TPSA, RotBonds, Csp3 fraction, and pass/fail status for each filter. Essential first step in hit-to-lead optimization. Lipinski Ro5 (pass = drug-like): MW≤500, cLogP≤5, HBD≤5, HBA≤10 (max 1 violation). Veber (oral bioavailability): RotBonds≤10, TPSA≤140. Pfizer 3/75 (reduces promiscuity): cLogP≤3, TPSA≥75. Examples: aspirin ('CC(=O)Oc1ccccc1C(=O)O') pass…
Overview
Check drug-likeness of a compound using Lipinski Rule of Five (Ro5), Veber, Pfizer 3/75, Egan, and Ghose filters. Returns MW, cLogP, HBD, HBA, TPSA, RotBonds, Csp3 fraction, and pass/fail status for each filter. Essential first step in hit-to-lead optimization. Lipinski Ro5 (pass = drug-like): MW≤500, cLogP≤5, HBD≤5, HBA≤10 (max 1 violation). Veber (oral bioavailability): RotBonds≤10, TPSA≤140. Pfizer 3/75 (reduces promiscuity): cLogP≤3, TPSA≥75. Examples: aspirin ('CC(=O)Oc1ccccc1C(=O)O') passes all filters; venetoclax fails Ro5 due to MW>900 (beyond-Ro5 territory).
Schema
JSON Schema the agent (or your API call) must match.
Examples (1)
Default DrugProps Lipinski Filter call
Anonymous-safe example. Rate-limited; no sign-in required.
Identifiers
- Catalog ID
- tu_DrugProps_lipinski_filter
- Tool name
- DrugProps_lipinski_filter
- Added
- 2026-05-01 00:58Z
- Tags
- tooluniverse