compound 51 [PMID: 18800762]

Ligand id: 3186

Name: compound 51 [PMID: 18800762]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 8
Rotatable bonds 5
Topological polar surface area 216.81
Molecular weight 263.01
XLogP -4.63
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