compound 4e [PMID: 7966163]

Ligand id: 3090

Name: compound 4e [PMID: 7966163]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 15
Hydrogen bond donors 6
Rotatable bonds 28
Topological polar surface area 244.68
Molecular weight 827.37
XLogP 8.56
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