vilanterol

Ligand id: 7353

Name: vilanterol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 4
Rotatable bonds 16
Topological polar surface area 91.18
Molecular weight 485.17
XLogP 3.39
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Procopiou PA, Barrett VJ, Bevan NJ, Biggadike K, Box PC, Butchers PR, Coe DM, Conroy R, Emmons A, Ford AJ et al.. (2010)
Synthesis and structure-activity relationships of long-acting beta2 adrenergic receptor agonists incorporating metabolic inactivation: an antedrug approach.
J. Med. Chem.53 (11): 4522-30. [PMID:20462258]