compound 1 [PMID: 8496942]

Ligand id: 3109

Name: compound 1 [PMID: 8496942]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 15
Topological polar surface area 15.6
Molecular weight 412.38
XLogP 8.4
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

1. Prashad M. (1993)
Amidinium cation as a mimic of allylic carbocation: synthesis and squalene synthetase inhibitory activity of an amidinium analog of a carbocation intermediate.
J. Med. Chem., 36 (5): 631-2. [PMID:8496942]