compound 3 [PMID: 24900526]

Ligand id: 7868

Name: compound 3 [PMID: 24900526]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 23
Hydrogen bond donors 8
Rotatable bonds 36
Topological polar surface area 355.56
Molecular weight 1076.45
XLogP 6.71
No. Lipinski's rules broken 4

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