Ligand id: 3366

Name: DH97

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 44.89
Molecular weight 334.2
XLogP 7.15
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Teh MT, Sugden D. (1998)
Comparison of the structure-activity relationships of melatonin receptor agonists and antagonists: lengthening the N-acyl side-chain has differing effects on potency on Xenopus melanophores.
Naunyn Schmiedebergs Arch. Pharmacol., 358 (5): 522-8. [PMID:9840420]