compound 37 [PMID: 24418773]

Ligand id: 8612

Name: compound 37 [PMID: 24418773]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 7
Rotatable bonds 15
Topological polar surface area 183.42
Molecular weight 522.3
XLogP 1.93
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