Ligand id: 7471

Name: alvimopan

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 9
Topological polar surface area 89.87
Molecular weight 424.24
XLogP 5.71
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Le Bourdonnec B, Barker WM, Belanger S, Wiant DD, Conway-James NC, Cassel JA, O'Neill TJ, Little PJ, DeHaven RN, DeHaven-Hudkins DL et al.. (2008)
Novel trans-3,4-dimethyl-4-(3-hydroxyphenyl)piperidines as mu opioid receptor antagonists with improved opioid receptor selectivity profiles.
Bioorg. Med. Chem. Lett., 18 (6): 2006-12. [PMID:18313920]