5-methyl-5-(5-methylthiophen-3-yl)-4-oxo-4,5-dihydrofuran-2-carboxylic acid

Ligand id: 1599

Name: 5-methyl-5-(5-methylthiophen-3-yl)-4-oxo-4,5-dihydrofuran-2-carboxylic acid

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 91.84
Molecular weight 238.03
XLogP 1.47
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-methyl-5-(5-methylthiophen-3-yl)-4-oxofuran-2-carboxylic acid
Synonyms
compound 5aj [PMID: 17358052] [1]
Database Links
BindingDB Ligand 50208135
ChEMBL Ligand CHEMBL424938
PubChem CID 11436345
Search Google for chemical match using the InChIKey NNWGOUJBCKZULC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NNWGOUJBCKZULC
Search UniChem for chemical match using the InChIKey NNWGOUJBCKZULC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NNWGOUJBCKZULC