Table 2.

Molinspiration bioactivity scores^a for compounds 1–14.

Comp.	GPCR ligand	Ion channel modulator	Kinase inhibitor	Nuclear receptor ligand	Protease inhibitor	Enzyme inhibitor
1	0.17	−0.55	0.05	−0.57	0.54	0.22
2	0.04	−0.78	−0.55	−0.66	0.42	−0.37
3	0.04	−1.24	−0.82	−1.25	0.42	−0.51
4	−0.43	0.42	−0.35	−1.14	−0.58	−0.18
5	0.32	0.32	0.38	−0.19	0.05	0.11
6	0.35	0.30	0.44	−0.12	0.12	0.15
7	−0.19	−0.44	−0.39	−0.34	−0.46	−0.07
8	0.64	−0.06	0.19	−0.76	0.28	0.82
9	0.31	0.21	−0.21	−1.46	−0.20	0.71
10	0.49	0.10	0.91	−0.67	−0.13	0.24
11	0.46	0.31	−0.20	−1.05	0.33	0.59
12	−0.68	−1.59	−1.45	−1.41	−0.27	−0.73
13a	−2.50	−2.89	−3.21	−2.94	−1.91	−2.53
13b	−2.31	−2.79	−3.08	−2.80	−1.72	−2.41
14	−0.05	−1.35	−1.06	−1.15	0.72	−0.49

^aItems marked in bold parameters indicate strong drug-target interaction.