compound 3a [PMID: 12238936]

Ligand id: 3085

Name: compound 3a [PMID: 12238936]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 134.63
Molecular weight 534.18
XLogP 1.82
No. Lipinski's rules broken 1

Molecular properties generated using the CDK