QSAR-based rational discovery of novel substituted-4′-iminospiro[indoline-3,3′-[1,2,5]thiadiazolidinyl]-2-one 1′,1′-dioxide with potent in vitro anticancer activity

Table 2 Calculated pIC₅₀, Z-score, and predicted pIC₅₀ for the data set for building the QSAR model

Compound	IC₅₀ (μM)	pIC₅₀	Residual	Z-score	Predicted pIC₅₀
I	0.85	6.070	0.0000	0.1116	6.07
II	0.28	6.552	0.0001	0.1684	6.55
III	0.38	6.420	0.0001	0.2929	6.42
IV	1.2	5.920	0.0001	0.2873	5.92
V	3.2	5.494	0.0001	0.4187	5.44
VI	0.57	6.244	0.0005	1.6129	6.24
VII	0.57	6.244	0.0006	1.7125	6.24
VIII	0.64	6.193	0.0007	2.2621	6.19
IX	0.63	6.200	0.0003	0.8417	6.20
X	0.39	6.408	0.0003	0.9366	6.40
XI	1.34	5.872	0.0000	0.0055	5.87
XII	0.28	6.552	0.0004	1.1437	6.55
XIII	0.18	6.744	0.0001	0.4482	6.74
XIV	0.13	6.886	0.0005	1.3919	6.88
XV	0.28	6.552	0.0004	1.1742	6.55
XVI	0.075	7.124	0.0004	1.1085	7.12
XVII	0.11	6.958	0.0003	0.5351	6.96
XVIII	0.25	6.602	0.0002	1.0190	6.60

ISSN: 2661-801X