compound 5 [PMID: 21741839]

Ligand id: 8670

Name: compound 5 [PMID: 21741839]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 6
Rotatable bonds 15
Topological polar surface area 218.23
Molecular weight 556.26
XLogP 2.63
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