compound 1a [PMID: 18573659]

Ligand id: 8872

Name: compound 1a [PMID: 18573659]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 53.6
Molecular weight 525.06
XLogP 4.48
No. Lipinski's rules broken 0

Molecular properties generated using the CDK