diclofenamide

Ligand id: 6807

Name: diclofenamide

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 2
Topological polar surface area 137.08
Molecular weight 303.91
XLogP -0.84
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Kanski JJ. (1968)
Carbonic anhydrase inhibitors and osmotic agents in glaucoma. Carbonic anhydrase inhibitors.
Br J Ophthalmol52 (8): 642-3. [PMID:5724852]
2. Vullo D, Innocenti A, Nishimori I, Pastorek J, Scozzafava A, Pastorekov√° S, Supuran CT. (2005)
Carbonic anhydrase inhibitors. Inhibition of the transmembrane isozyme XII with sulfonamides-a new target for the design of antitumor and antiglaucoma drugs?.
Bioorg. Med. Chem. Lett.15 (4): 963-9. [PMID:15686894]
3. Winum JY, Temperini C, El Cheikh K, Innocenti A, Vullo D, Ciattini S, Montero JL, Scozzafava A, Supuran CT. (2006)
Carbonic anhydrase inhibitors: clash with Ala65 as a means for designing inhibitors with low affinity for the ubiquitous isozyme II, exemplified by the crystal structure of the topiramate sulfamide analogue.
J. Med. Chem.49 (24): 7024-31. [PMID:17125255]