NPTS

Ligand id: 4601

Name: NPTS

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 66.84
Molecular weight 417.19
XLogP 7.46
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[methyl-[3-[4-(4-methylbenzoyl)phenoxy]-3-phenylpropyl]amino]acetic acid
Synonyms
(N-[3-phenyl-3-(4'-(4-toluoyl) phenoxy)propyl]sarcosine
Database Links
ChEMBL Ligand CHEMBL23390
PubChem CID 11998193
Search Google for chemical match using the InChIKey HNBKNDFZJLEZLZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone HNBKNDFZJLEZLZ
Search UniChem for chemical match using the InChIKey HNBKNDFZJLEZLZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone HNBKNDFZJLEZLZ