compound 4 [PMID: 22984835]

Ligand id: 5905

Name: compound 4 [PMID: 22984835]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 2
Rotatable bonds 17
Topological polar surface area 169.6
Molecular weight 599.26
XLogP 2.33
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