compound 31 [PMID: 17963374]

Ligand id: 3152

Name: compound 31 [PMID: 17963374]

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 137.51
Molecular weight 376.12
XLogP 2.68
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
hydrogen {2-[decyl(methyl)sulfaniumyl]-1-phosphonoethyl}phosphonate
Database Links
ChEMBL Ligand CHEMBL237589
PubChem CID 23730136
Search Google for chemical match using the InChIKey RKGOJPTZXHKAKX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RKGOJPTZXHKAKX
Search UniChem for chemical match using the InChIKey RKGOJPTZXHKAKX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone RKGOJPTZXHKAKX