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
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
methylurea
Database Links Click here for help
GtoPdb PubChem SID 178101377
PubChem CID 11719
RCSB PDB Ligand NMU
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