compound R-16 [PMID: 21967808]

Ligand id: 8213

Name: compound R-16 [PMID: 21967808]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 9
Topological polar surface area 140.38
Molecular weight 594.23
XLogP 4.91
No. Lipinski's rules broken 1

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