NE21650

Ligand id: 3167

Name: NE21650

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 6
Rotatable bonds 4
Topological polar surface area 180.93
Molecular weight 297.02
XLogP -2.42
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
[2-(2-aminophenyl)-1-hydroxy-1-phosphonoethyl]phosphonic acid
Synonyms
NE 21650
Database Links
CAS Registry No. 427899-21-6 (source: Scifinder)
ChEMBL Ligand CHEMBL414849
PubChem CID 9994754
Search Google for chemical match using the InChIKey VJXYJONFUZXZJZ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VJXYJONFUZXZJZ
Search UniChem for chemical match using the InChIKey VJXYJONFUZXZJZ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VJXYJONFUZXZJZ