compound 4 [PMID: 18754614]

Ligand id: 3080

Name: compound 4 [PMID: 18754614]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 60.94
Molecular weight 315.13
XLogP 3.58
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Kourounakis AP, Charitos C, Rekka EA, Kourounakis PN. (2008)
Lipid-lowering (hetero)aromatic tetrahydro-1,4-oxazine derivatives with antioxidant and squalene synthase inhibitory activity.
J. Med. Chem.51 (18): 5861-5. [PMID:18754614]