compound 3 [PMID: 27347366]

Ligand id: 9337

Name: compound 3 [PMID: 27347366]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 20
Topological polar surface area 131
Molecular weight 630.38
XLogP 8.27
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