compound 13 [PMID: 19456099]

Ligand id: 3127

Name: compound 13 [PMID: 19456099]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 105.67
Molecular weight 377.14
XLogP 3.45
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[2-methyl-1-oxo-1-[3-(3-phenoxyphenyl)propylamino]propan-2-yl]phosphonic acid
Synonyms
compound 1d [PMID: 19456099] [1]
Database Links
ChEMBL Ligand CHEMBL1207858
PubChem CID 44185378
Search Google for chemical match using the InChIKey AGJZDRXKAQZWEP-UHFFFAOYSA-N
Search Google for chemicals with the same backbone AGJZDRXKAQZWEP
Search UniChem for chemical match using the InChIKey AGJZDRXKAQZWEP-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone AGJZDRXKAQZWEP