compound 5b [PMID: 16686537]

Ligand id: 8616

Name: compound 5b [PMID: 16686537]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 18
Topological polar surface area 113.6
Molecular weight 475.3
XLogP 6.81
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