Ligand id: 4819

Name: fexofenadine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 10
Topological polar surface area 81
Molecular weight 501.29
XLogP 8.4
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Aslanian R, Piwinski JJ, Zhu X, Priestley T, Sorota S, Du XY, Zhang XS, McLeod RL, West RE, Williams SM et al.. (2009)
Structural determinants for histamine H(1) affinity, hERG affinity and QTc prolongation in a series of terfenadine analogs.
Bioorg. Med. Chem. Lett., 19 (17): 5043-7. [PMID:19660947]