isoamyl-agomelatine

Ligand id: 7781

Name: isoamyl-agomelatine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 38.33
Molecular weight 313.2
XLogP 6.31
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[2-[7-methoxy-3-(3-methylbutyl)naphthalen-1-yl]ethyl]acetamide
Database Links
ChEMBL Ligand CHEMBL1946226
PubChem CID 57381997
Search Google for chemical match using the InChIKey DGWFQLYAVLGONI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DGWFQLYAVLGONI
Search UniChem for chemical match using the InChIKey DGWFQLYAVLGONI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DGWFQLYAVLGONI