compound 1a [PMID: 2153213]

Ligand id: 2987

Name: compound 1a [PMID: 2153213]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 85.52
Molecular weight 408.16
XLogP 4.62
No. Lipinski's rules broken 0

Molecular properties generated using the CDK