Tools · Drug discovery
Drug-Likeness Calculator
Evaluate Lipinski Rule of 5, Veber rules, and lead-likeness from a SMILES string.
Try:
Lipinski
Veber
Lead-like
MW
LogP
HBD
HBA
TPSA
RotB
Rings
Fsp3
| Rule | Value | Status |
|---|
Reference
About drug-likeness rules
Lipinski's Rule of 5 predicts that poor absorption or permeation is more likely when: MW > 500, LogP > 5, HBD > 5, or HBA > 10. A compound can have at most 1 violation and still be considered drug-like.
Veber Rules predict oral bioavailability based on: rotatable bonds ≤ 10 and TPSA ≤ 140 Ų.
Lead-likeness defines a more restrictive chemical space for lead optimization: MW ≤ 350, LogP ≤ 3.5, rotatable bonds ≤ 7.
Related
Related chemistry tools
SMILES to Structure Converter
Visualise the molecule in 2D and 3D from the same SMILES string.
Covalent — Molecular Editor
Draw or tweak the structure by hand, then read off its properties.
NMR Spectrum Predictor
Predict 1H and 13C NMR spectra for structure verification.
Molar Mass Calculator
Molecular weight and percent composition for drug candidates.