Ligand id: 9150

Name: naldemedine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 7
Topological polar surface area 141.18
Molecular weight 570.25
XLogP 5.03
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Mashimo A, Ichiio S. (2013)
Preparation containing 6,7-unsaturated-7-carbamoylmorphinan derivative.
Patent number: WO2013172297 A1. Assignee: Shionogi & Co., Ltd. Priority date: 14/05/2012. Publication date: 21/11/2013.