polmacoxib

Ligand id: 8316

Name: polmacoxib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 94.84
Molecular weight 361.08
XLogP 3.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Skarke C, Alamuddin N, Lawson JA, Cen L, Propert KJ, Fitzgerald GA. (2012)
Comparative impact on prostanoid biosynthesis of celecoxib and the novel nonsteroidal anti-inflammatory drug CG100649.
Clin. Pharmacol. Ther.91 (6): 986-93. [PMID:22278334]