compound 42 [PMID: 17574411]

Ligand id: 3001

Name: compound 42 [PMID: 17574411]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 105.83
Molecular weight 573.22
XLogP 6.29
No. Lipinski's rules broken 1

Molecular properties generated using the CDK