Ligand id: 9650

Name: dagrocorat

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 62.22
Molecular weight 494.22
XLogP 10.56
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Rucker PV, Snyder JS. (2014)
Tricyclic compounds, compositions, and methods.
Patent number: US8901310. Assignee: Pfizer Inc.. Priority date: 02/02/2007. Publication date: 02/12/2014.