compound 15 [PMID: 29852070]

Ligand id: 9997

Name: compound 15 [PMID: 29852070]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 133.06
Molecular weight 433.11
XLogP 1.92
No. Lipinski's rules broken 0

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