compound 3a [PMID: 21444206]

Ligand id: 5737

Name: compound 3a [PMID: 21444206]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 0
Rotatable bonds 7
Topological polar surface area 124.89
Molecular weight 473.17
XLogP 2.48
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