compound 1a [PMID: 25692029]

Ligand id: 9091

Name: compound 1a [PMID: 25692029]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 4
Rotatable bonds 10
Topological polar surface area 139.53
Molecular weight 418.17
XLogP 3.01
No. Lipinski's rules broken 0

Molecular properties generated using the CDK