compound I3 [PMID: 23428964]

Ligand id: 8565

Name: compound I3 [PMID: 23428964]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 43.09
Molecular weight 329.04
XLogP 5.79
No. Lipinski's rules broken 1

Molecular properties generated using the CDK