compound 4 [PMID: 23083103]

Ligand id: 6148

Name: compound 4 [PMID: 23083103]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 26
Hydrogen bond donors 8
Rotatable bonds 14
Topological polar surface area 501.12
Molecular weight 899.98
XLogP -6.05
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