methocarbamol

Ligand id: 6829

Name: methocarbamol

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 91.01
Molecular weight 241.1
XLogP 0.39
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. 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]