Ligand id: 9412

Name: AZD7986

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 103.69
Molecular weight 420.18
XLogP 3.83
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Doyle K, Lönn H, Käck H, Van de Poël A, Swallow S, Gardiner P, Connolly S, Root J, Wikell C, Dahl G et al.. (2016)
Discovery of Second Generation Reversible Covalent DPP1 Inhibitors Leading to an Oxazepane Amidoacetonitrile Based Clinical Candidate (AZD7986).
J. Med. Chem., 59 (20): 9457-9472. [PMID:27690432]