compound 1 [PMID: 8496942]

Ligand id: 3109

Name: compound 1 [PMID: 8496942]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 15
Topological polar surface area 15.6
Molecular weight 412.38
XLogP 8.4
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