compound 4d [PMID: 20655626]

Ligand id: 8852

Name: compound 4d [PMID: 20655626]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 26.3
Molecular weight 344.04
XLogP 5.24
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Aboraia AS, Makowski B, Bahja A, Prosser D, Brancale A, Jones G, Simons C. (2010)
Synthesis and CYP24A1 inhibitory activity of (E)-2-(2-substituted benzylidene)- and 2-(2-substituted benzyl)-6-methoxy-tetralones.
Eur J Med Chem, 45 (10): 4427-34. [PMID:20655626]