compound 51 [PMID: 19743866]

Ligand id: 8653

Name: compound 51 [PMID: 19743866]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 20
Hydrogen bond donors 11
Rotatable bonds 32
Topological polar surface area 340.7
Molecular weight 796.53
XLogP -0.67
No. Lipinski's rules broken 3

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