compound 20 [PMID: 12372533]

Ligand id: 8555

Name: compound 20 [PMID: 12372533]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 17
Hydrogen bond donors 7
Rotatable bonds 25
Topological polar surface area 255.79
Molecular weight 870.47
XLogP 3.76
No. Lipinski's rules broken 3

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