compound 20 [PMID:12127536]

Ligand id: 8650

Name: compound 20 [PMID:12127536]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 3
Rotatable bonds 15
Topological polar surface area 192.11
Molecular weight 658.28
XLogP 4.28
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Download 2D Structure
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel