compound 22 [PMID: 19899765]

Ligand id: 6562

Name: compound 22 [PMID: 19899765]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 18
Topological polar surface area 167.63
Molecular weight 667.24
XLogP 10.43
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