compound 2e [PMID: 7629799]

Ligand id: 3064

Name: compound 2e [PMID: 7629799]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 11
Topological polar surface area 134.68
Molecular weight 368.15
XLogP 2.34
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Magnin DR, Biller SA, Dickson JK, Logan JV, Lawrence RM, Chen Y, Sulsky RB, Ciosek CP, Harrity TW, Jolibois KG. (1995)
1,1-Bisphosphonate squalene synthase inhibitors: interplay between the isoprenoid subunit and the diphosphate surrogate.
J. Med. Chem.38 (14): 2596-605. [PMID:7629799]