compound 2 [PMID: 25408830]

Ligand id: 7810

Name: compound 2 [PMID: 25408830]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 78.1
Molecular weight 345.11
XLogP 2.95
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