compound 4 [PMID: 9003518]

Ligand id: 6721

Name: compound 4 [PMID: 9003518]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 0
Rotatable bonds 16
Topological polar surface area 37.83
Molecular weight 432.34
XLogP 9.03
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2,2-dimethyl-3-[(3E,11E)-3,7,12-trimethyl-15-[(4-methylpent-3-en-1-yl)sulfanyl]pentadeca-3,7,11-trien-1-yl]oxirane
Database Links
GtoPdb PubChem SID 178103332
PubChem CID 73755233
Search Google for chemical match using the InChIKey SFOVLQYHQCMFTD-VLUDVKJZSA-N
Search Google for chemicals with the same backbone SFOVLQYHQCMFTD
Search UniChem for chemical match using the InChIKey SFOVLQYHQCMFTD-VLUDVKJZSA-N
Search UniChem for chemicals with the same backbone SFOVLQYHQCMFTD