ONO-AE1-437

Ligand id: 8541

Name: ONO-AE1-437

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 13
Topological polar surface area 129.36
Molecular weight 436.19
XLogP 2.64
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[2-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxy-4-[3-(methoxymethyl)phenyl]but-1-enyl]-5-oxocyclopentyl]ethylsulfanyl]butanoic acid
Database Links
ChEMBL Ligand CHEMBL292964
PubChem CID 9824353
Search Google for chemical match using the InChIKey ORSJUPRAHPZYRL-XHTUOEPPSA-N
Search Google for chemicals with the same backbone ORSJUPRAHPZYRL
Search UniChem for chemical match using the InChIKey ORSJUPRAHPZYRL-XHTUOEPPSA-N
Search UniChem for chemicals with the same backbone ORSJUPRAHPZYRL