compound 4 [PMID: 27074625]

Ligand id: 9148

Name: compound 4 [PMID: 27074625]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 16
Topological polar surface area 125.21
Molecular weight 629.24
XLogP 5.21
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