compound 8 [PMID: 17562362}

Ligand id: 8886

Name: compound 8 [PMID: 17562362}

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 141.26
Molecular weight 361.01
XLogP 0.4
No. Lipinski's rules broken 0

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