example 41 [WO2012028563]

Ligand id: 7855

Name: example 41 [WO2012028563]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 3
Rotatable bonds 17
Topological polar surface area 177.79
Molecular weight 759.24
XLogP 7.56
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

References
1. Mauser H etal. (2012)
Bace inhibitors for use in the treatment of diabetes.
Patent number: WO2012028563. Assignee: Roche. Priority date: 01/09/2009. Publication date: 08/03/2012.
2. Southan C. (2013)
BACE2 as a new diabetes target: a patent review (2010 - 2012).
Expert Opin Ther Pat23 (5): 649-63. [PMID:23506624]