Table 1.

Comparison of structure features, calculated properties, potency and cell viability of compounds

Cmpd	LGFE (kcal/mol)	IC50c (μM)	Viabilityc,d (μM)	Selective Index (viability/IC50)
DFB	−24.7	136	500	3.68
1a	−33.08	210	1000	4.76
1b	−31.22	160	1000	24.6
1c	−32.75	180	1000	5.68
1d	−34.24	46	1000	21.8
1e	−29.17	46	300	6.49
1f	−30.09	21	300	14.6
2b	−33.73	58	1000	17.4
2c	−33.43	71	1000	14.1
2d	−32.04	230	1000	4.37
2f	−29.76	67	400	5.96
3a	−33.08	30	1000	33.0
3b	−33.79	200	1000	5.03
3c	−33.28	130	400	3.01
3d	−29.83	200	200	1.02
3e	−32.03	170	800	4.60

^cThe listed result was the average of three independent experiments.

^dThe highest concentration of the tested compound at which no obvious cytotoxicity was observed.