compound 20 [PMID: 23692593]

Ligand id: 8486

Name: compound 20 [PMID: 23692593]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 16
Hydrogen bond donors 10
Rotatable bonds 32
Topological polar surface area 275.3
Molecular weight 783.33
XLogP 1.82
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