compound 3 [PMID: 24440480]

Ligand id: 8682

Name: compound 3 [PMID: 24440480]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 85.94
Molecular weight 251.07
XLogP 1.8
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