compound 1 [PMID: 10498202]

Ligand id: 6541

Name: compound 1 [PMID: 10498202]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 19
Topological polar surface area 134.71
Molecular weight 887.14
XLogP 9.34
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