compound 4 [PMID: 24432870]

Ligand id: 8941

Name: compound 4 [PMID: 24432870]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 122.97
Molecular weight 324.13
XLogP 0.94
No. Lipinski's rules broken 0

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