compound 13 [PMID: 23098072]

Ligand id: 8888

Name: compound 13 [PMID: 23098072]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 41
Hydrogen bond donors 10
Rotatable bonds 107
Topological polar surface area 647.95
Molecular weight 2260.14
XLogP 10.98
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