DIOA

Ligand id: 4589

Name: DIOA

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 63.6
Molecular weight 398.11
XLogP 5.17
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]acetic acid
Synonyms
dihydroindenyl-oxyalkanoic acid
Database Links
CAS Registry No. 81166-34-9 (source: Scifinder)
ChEMBL Ligand CHEMBL346777
GtoPdb PubChem SID 178101310
PubChem CID 5017
Search Google for chemical match using the InChIKey YAWWQIFONIPBKT-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YAWWQIFONIPBKT
Search UniChem for chemical match using the InChIKey YAWWQIFONIPBKT-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone YAWWQIFONIPBKT