compound 9 [PMID: 15615544]

Ligand id: 8890

Name: compound 9 [PMID: 15615544]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 5
Rotatable bonds 8
Topological polar surface area 210.54
Molecular weight 452.16
XLogP -3.2
No. Lipinski's rules broken 1

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