compound 16 [PMID: 19097778]

Ligand id: 8837

Name: compound 16 [PMID: 19097778]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 6
Rotatable bonds 7
Topological polar surface area 156.91
Molecular weight 406.13
XLogP 0.68
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Download 2D Structure
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel