ACET

Ligand id: 4123

Name: ACET

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 7
Topological polar surface area 169.48
Molecular weight 429.1
XLogP -0.18
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-({3-[(2S)-2-amino-2-carboxyethyl]-5-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-1-yl}methyl)-5-phenylthiophene-2-carboxylic acid
Database Links
ChEMBL Ligand CHEMBL373429
PubChem CID 16125102
Search Google for chemical match using the InChIKey LCZDCKMQSBGXAH-AWEZNQCLSA-N
Search Google for chemicals with the same backbone LCZDCKMQSBGXAH