compound 16 [PMID: 18800762]

Ligand id: 3195

Name: compound 16 [PMID: 18800762]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 15
Topological polar surface area 137.92
Molecular weight 387.19
XLogP 2.43
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
{2-[dodecyl(methyl)amino]-1-phosphonoethyl}phosphonic acid
Synonyms
bisphosphonate, 16
Database Links
ChEMBL Ligand CHEMBL494896
PubChem CID 25023863
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Search UniChem for chemicals with the same backbone FQYMJTHEUPKDPQ