compound 1b [PMID: 9871762]

Ligand id: 8794

Name: compound 1b [PMID: 9871762]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 11
Topological polar surface area 86.47
Molecular weight 474.2
XLogP 5.79
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