Ligand id: 7679

Name: AZD3778

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 87.33
Molecular weight 525.13
XLogP 4.75
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Bahl A, Barton P, Bowers K, Brough S, Evans R, Luckhurst CA, Mochel T, Perry MW, Rigby A, Riley RJ et al.. (2012)
The discovery of CCR3/H1 dual antagonists with reduced hERG risk.
Bioorg. Med. Chem. Lett., 22 (21): 6688-93. [PMID:23031591]
2. Cook D, Brown D, Alexander R, March R, Morgan P, Satterthwaite G, Pangalos MN. (2014)
Lessons learned from the fate of AstraZeneca's drug pipeline: a five-dimensional framework.
Nat Rev Drug Discov, 13 (6): 419-31. [PMID:24833294]