compound 8 [PMID: 22533316]

Ligand id: 6716

Name: compound 8 [PMID: 22533316]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 13
Topological polar surface area 32.78
Molecular weight 440.27
XLogP 7.49
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