compound 11ff [PMID: 1656041]

Ligand id: 3016

Name: compound 11ff [PMID: 1656041]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 89.82
Molecular weight 417.21
XLogP 5.15
No. Lipinski's rules broken 1

Molecular properties generated using the CDK
Classification
Compound class Synthetic organic
IUPAC Name
(3R)-6-[2-(4-fluorophenyl)-4,6-bis(propan-2-yl)phenoxy]-3,5-dihydroxyhexanoate
Database Links
ChEMBL Ligand CHEMBL100165
GtoPdb PubChem SID 135649769
PubChem CID 56947039
Search Google for chemical match using the InChIKey GWJDCGLHTDEKGT-FIWHBWSRSA-M
Search Google for chemicals with the same backbone GWJDCGLHTDEKGT
Search UniChem for chemical match using the InChIKey GWJDCGLHTDEKGT-FIWHBWSRSA-M
Search UniChem for chemicals with the same backbone GWJDCGLHTDEKGT