monomethylfumarate

Ligand id: 5786

Name: monomethylfumarate

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View more information in the IUPHAR Pharmacology Education Project: monomethylfumarate

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 63.6
Molecular weight 130.03
XLogP -0.1
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Prodrug dimethyl fumarate
IUPAC Name
4-methoxy-4-oxobut-2-enoic acid
Database Links
CAS Registry No. 2756-87-8
ChEMBL Ligand CHEMBL589586
PubChem CID 5369209
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