compound 2 [PMID: 8410973]

Ligand id: 6566

Name: compound 2 [PMID: 8410973]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 22
Topological polar surface area 174.55
Molecular weight 713.36
XLogP 5.7
No. Lipinski's rules broken 3

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