compound 1 [Xiao et al. 2014]

Ligand id: 8301

Name: compound 1 [Xiao et al. 2014]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 73.47
Molecular weight 368.02
XLogP 3.74
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Xiao P, Guo R, Huang S, Cui H, Ye S, Zhang Z. (2014)
Discovery of dipeptidyl peptidase IV (DPP4) inhibitors based on a novel indole scaffold.
Chin.Chem. Lett., 25 (5): 673-676.