compound 76 [PMID: 28657314]

Ligand id: 9609

Name: compound 76 [PMID: 28657314]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 16
Topological polar surface area 131.72
Molecular weight 576.25
XLogP 6.85
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