compound 13b [PMID: 18412317]

Ligand id: 2988

Name: compound 13b [PMID: 18412317]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 11
Hydrogen bond donors 2
Rotatable bonds 10
Topological polar surface area 153.21
Molecular weight 484.21
XLogP 2.38
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