compound 20 [PMID: 7473541]

Ligand id: 3114

Name: compound 20 [PMID: 7473541]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 12
Topological polar surface area 30.49
Molecular weight 305.24
XLogP 5
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