compound 4 [PMID: 12408711]

Ligand id: 8628

Name: compound 4 [PMID: 12408711]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 11
Topological polar surface area 188.21
Molecular weight 435.07
XLogP 0.24
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