casopitant

Ligand id: 5758

Name: casopitant

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 9
Topological polar surface area 47.1
Molecular weight 616.26
XLogP 7.02
No. Lipinski's rules broken 1

Molecular properties generated using the CDK