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

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]