rofecoxib

Ligand id: 2893

Name: rofecoxib

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 3
Topological polar surface area 68.82
Molecular weight 314.06
XLogP 4.77
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Warner TD, Giuliano F, Vojnovic I, Bukasa A, Mitchell JA, Vane JR. (1999)
Nonsteroid drug selectivities for cyclo-oxygenase-1 rather than cyclo-oxygenase-2 are associated with human gastrointestinal toxicity: a full in vitro analysis.
Proc. Natl. Acad. Sci. U.S.A.96 (13): 7563-8. [PMID:10377455]