compound 1 [PMID: 20005102]

Ligand id: 8181

Name: compound 1 [PMID: 20005102]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 105.75
Molecular weight 463.2
XLogP 4.78
No. Lipinski's rules broken 0

Molecular properties generated using the CDK