compound 28 [PMID: 7473541]

Ligand id: 3113

Name: compound 28 [PMID: 7473541]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 11
Topological polar surface area 42.85
Molecular weight 304.22
XLogP 4.74
No. Lipinski's rules broken 1

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