compound 4 [PMID: 18163548]

Ligand id: 6545

Name: compound 4 [PMID: 18163548]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 7
Rotatable bonds 14
Topological polar surface area 203.08
Molecular weight 477.17
XLogP 0.9
No. Lipinski's rules broken 3

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