compound 21 [PMID: 25259874]

Ligand id: 8381

Name: compound 21 [PMID: 25259874]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 6
Rotatable bonds 12
Topological polar surface area 156.98
Molecular weight 448.22
XLogP 4.88
No. Lipinski's rules broken 2

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