compound 13k [PMID: 22390415]

Ligand id: 7579

Name: compound 13k [PMID: 22390415]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 5
Rotatable bonds 7
Topological polar surface area 168.83
Molecular weight 402.07
XLogP 0.14
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