compound 20 [Shechter et al., 1996]

Ligand id: 3062

Name: compound 20 [Shechter et al., 1996]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 12
Topological polar surface area 65.58
Molecular weight 403.22
XLogP 8.1
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