compound 42 [PMID: 17189691]

Ligand id: 6446

Name: compound 42 [PMID: 17189691]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 80.32
Molecular weight 271.1
XLogP 2.37
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Ceccarelli SM, Jaeschke G, Buettelmann B, Huwyler J, Kolczewski S, Peters JU, Prinssen E, Porter R, Spooren W, Vieira E. (2007)
Rational design, synthesis, and structure-activity relationship of benzoxazolones: new potent mglu5 receptor antagonists based on the fenobam structure.
Bioorg. Med. Chem. Lett., 17 (5): 1302-6. [PMID:17189691]