Organic Chemistry International / 2012 / Article / Tab 7 / Research Article
Environmentally Benign Mortar-Pestle-Induced Acylation and O -Alkylation of Aromatic and Heteroaromatic Compounds under Solvent-Free Micellar Conditions and Computation of Their Drug Likeliness Properties Table 7 Drug likeness of compounds.
S. number 6-Acyl-1-halo-2-methoxynaphthalene GPCRL ICM KI NRL 1 1-(1-Bromo-2-methoxynaphthalen-6-yl)ethanone −0.56 −0.51 −0.71 −0.57 2 1-(1-Bromo-2-methoxynaphthalen-6-yl)pentan-1-one −0.18 −0.36 −0.42 −0.20 3 1-(1-Bromo-2-methoxynaphthalen-6-yl)hexan-1-one −0.13 −0.34 −0.35 −0.14 4 1-(1-Bromo-2-methoxynaphthalen-6-yl)-4-methylpentan-1-one −0.14 −0.33 −0.39 −0.14 5 1-(1-Bromo-2-methoxynaphthalen-6-yl)-5-methylhexan-1-one −0.09 −0.31 −0.34 −0.08 6 1-(1-Bromo-2-methoxynaphthalen-6-yl)-3,3-dimethylbutan-1-one −0.19 −0.27 −0.46 −0.32 7 1-(1-Bromo-2-methoxynaphthalen-6-yl)-2-phenylethanone −0.06 −0.30 −0.24 −0.05 8 1-(1-Chloro-2-methoxynaphthalen-6-yl)ethanone −0.50 −0.22 −0.67 −0.49 9 1-(1-Chloro-2-methoxynaphthalen-6-yl)pentan-1-one −0.13 −0.12 −0.39 −0.14 10 1-(1-Chloro-2-methoxynaphthalen-6-yl)hexan-1-one −0.08 −0.11 −0.32 −0.08 11 1-(1-Chloro-2-methoxynaphthalen-6-yl)-4-methylpentan-1-one −0.10 −0.10 −0.37 −0.08 12 1-(1-Chloro-2-methoxynaphthalen-6-yl)-5-methylhexan-1-one −0.04 −0.09 −0.31 −0.02 13 1-(1-Chloro-2-methoxynaphthalen-6-yl)-3,3-dimethylbutan-1-one −0.14 −0.04 −0.43 −0.26 14 1-(1-Chloro-2-methoxynaphthalen-6-yl)-2-phenylethanone −0.02 −0.10 −0.21 0.00 STD Naproxen −0.06 0.00 −0.36 0.18
GPCR: ligand, ICM: Ion channel modulator, KI: Kinase inhibitor, NRL: Nuclear receptor ligand.