methylurea   Click here for help

GtoPdb Ligand ID: 4662

PDB Ligand
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 1
Topological polar surface area 55.12
Molecular weight 74.05
XLogP -1.17
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CNC(=O)N
Isomeric SMILES CNC(=O)N
InChI InChI=1S/C2H6N2O/c1-4-2(3)5/h1H3,(H3,3,4,5)
InChI Key XGEGHDBEHXKFPX-UHFFFAOYSA-N
References
1. Zhao D, Sonawane ND, Levin MH, Yang B. (2007)
Comparative transport efficiencies of urea analogues through urea transporter UT-B.
Biochim Biophys Acta, 1768 (7): 1815-21. [PMID:17506977]