Ligand id: 7924


Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 47.56
Molecular weight 341.2
XLogP 5.02
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Hu Y, Zhu J, Chan KH, Wong YH. (2013)
Development of substituted N-[3-(3-methoxylphenyl)propyl] amides as MT(2)-selective melatonin agonists: improving metabolic stability.
Bioorg. Med. Chem., 21 (2): 547-52. [PMID:23228808]