Ligand id: 7876

Name: boceprevir

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 14
Topological polar surface area 150.7
Molecular weight 519.34
XLogP 2.83
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Ruf S et al.. (2013)
Use of boceprevir and related compounds in atherosclerosis, heart failure, renal diseases, liver diseases or inflammatory diseases.
Patent number: WO2013072327. Assignee: Sanofi. Priority date: 14/11/2011. Publication date: 23/05/2013.