ONO-DI-004

Ligand id: 1914

Name: ONO-DI-004

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 11
Topological polar surface area 111.9
Molecular weight 422.27
XLogP 2.56
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,5S)-3-hydroxy-5-methylnon-1-enyl]-5-oxocyclopentyl]acetyl]cyclohexane-1-carboxylic acid
Database Links
CAS Registry No. 250605-97-1 (source: Scifinder)
PubChem CID 5311227
Search Google for chemical match using the InChIKey KWRRIFVHVJWXPU-HVCOQRSISA-N
Search Google for chemicals with the same backbone KWRRIFVHVJWXPU
Search UniChem for chemical match using the InChIKey KWRRIFVHVJWXPU-HVCOQRSISA-N
Search UniChem for chemicals with the same backbone KWRRIFVHVJWXPU