compound 1 [PMID: 16650987]

Ligand id: 6552

Name: compound 1 [PMID: 16650987]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 9
Rotatable bonds 9
Topological polar surface area 240.95
Molecular weight 532.17
XLogP -0.1
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