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