compound 3 [PMID: 23134120]

Ligand id: 9190

Name: compound 3 [PMID: 23134120]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 23.47
Molecular weight 295.19
XLogP 6.37
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Spetea M, Berzetei-Gurske IP, Guerrieri E, Schmidhammer H. (2012)
Discovery and pharmacological evaluation of a diphenethylamine derivative (HS665), a highly potent and selective κ opioid receptor agonist.
J. Med. Chem., 55 (22): 10302-6. [PMID:23134120]