compound 6ee [PMID: 22364528]

Ligand id: 8796

Name: compound 6ee [PMID: 22364528]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 3
Rotatable bonds 6
Topological polar surface area 126.56
Molecular weight 587.25
XLogP 5.34
No. Lipinski's rules broken 2

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