analog 3 [Vlattas et al., 1996]

Ligand id: 7994

Name: analog 3 [Vlattas et al., 1996]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 8
Topological polar surface area 173.45
Molecular weight 293.01
XLogP -3.72
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[2-[hydroxy(phosphonooxy)phosphoryl]oxyethyl-methylamino]acetic acid
Database Links
ChEMBL Ligand CHEMBL1160330
PubChem CID 44306132
Search Google for chemical match using the InChIKey YERUUUBBRAPJND-UHFFFAOYSA-N
Search Google for chemicals with the same backbone YERUUUBBRAPJND
Comments
This ligand is referred to as analog 3 in the reference [1], which has no available PMID.