(hydroxymethylphenyl)agomelatine

Ligand id: 7922

Name: (hydroxymethylphenyl)agomelatine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 58.56
Molecular weight 349.17
XLogP 5.35
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[2-[3-[3-(hydroxymethyl)phenyl]-7-methoxynaphthalen-1-yl]ethyl]acetamide
Synonyms
compound 21 [PMID: 18778943]
Database Links
ChEMBL Ligand CHEMBL476131
PubChem CID 9798456
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