compound 57 [PMID: 16610804]

Ligand id: 8771

Name: compound 57 [PMID: 16610804]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 18
Topological polar surface area 104.06
Molecular weight 523.26
XLogP 7.05
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