compound 4ff [PMID: 1656041]

Ligand id: 2970

Name: compound 4ff [PMID: 1656041]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 55.76
Molecular weight 400.2
XLogP 6.45
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(4R)-6-[2-(4-fluorophenyl)-4,6-bis(propan-2-yl)phenoxymethyl]-4-hydroxyoxan-2-one
Database Links
ChEMBL Ligand CHEMBL318707
GtoPdb PubChem SID 135649809
PubChem CID 44331923
Search Google for chemical match using the InChIKey JMEOINPEUMGNEF-FIWHBWSRSA-N
Search Google for chemicals with the same backbone JMEOINPEUMGNEF
Search UniChem for chemical match using the InChIKey JMEOINPEUMGNEF-FIWHBWSRSA-N
Search UniChem for chemicals with the same backbone JMEOINPEUMGNEF