ketorolac

Ligand id: 6661

Name: ketorolac

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 59.3
Molecular weight 255.09
XLogP 3.33
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Viegas A, Manso J, Corvo MC, Marques MM, Cabrita EJ. (2011)
Binding of ibuprofen, ketorolac, and diclofenac to COX-1 and COX-2 studied by saturation transfer difference NMR.
J. Med. Chem.54 (24): 8555-62. [PMID:22091869]
2. 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]