compound 40 [PMID: 10602705]

Ligand id: 8630

Name: compound 40 [PMID: 10602705]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 13
Topological polar surface area 251.58
Molecular weight 483.13
XLogP -3.83
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