Table 5.

Inhibitory activity and predicted values of indenoisoquinoline derivatives.

Comp. no.	Experiment (pGI50)	CoMFA		CoMSIA
		Pred.	Res.	Pred.	Res.
1 *	4.168	4.003	0.165	4.335	−0.167
2	6.509	6.571	−0.062	6.679	−0.170
3	8.000	7.866	0.134	7.993	0.007
4	6.500	6.324	0.176	6.691	−0.191
5	7.071	7.206	−0.135	7.345	−0.274
6	8.000	8.113	−0.113	7.776	0.224
7	7.041	7.231	−0.190	7.135	−0.094
8	6.090	6.004	0.086	5.890	0.200
9	8.000	7.899	0.101	7.860	0.140
10	6.900	6.798	0.102	7.079	−0.179
11 *	4.939	5.067	−0.128	5.163	−0.224
12	6.590	6.497	0.093	6.889	−0.299
13	6.839	7.000	−0.161	7.132	−0.293
14 *	4.000	3.761	0.239	4.476	−0.476
15	5.830	5.812	0.018	6.337	−0.507
16	5.780	5.770	0.010	5.910	−0.130
17 *	8.000	8.198	−0.198	8.403	−0.403
18	7.824	7.793	0.031	7.850	−0.026
19	8.000	7.885	0.115	8.063	−0.063
20	8.000	8.145	−0.145	8.195	−0.195
21	5.155	4.996	0.159	4.666	0.489
22	6.796	6.689	0.107	6.535	0.261
23	6.041	6.003	0.038	5.990	0.051
24	4.140	4.095	0.045	4.003	0.137
25	6.991	7.023	−0.032	6.840	0.151
26	5.380	5.187	0.193	5.580	−0.200
27 *	4.000	3.695	0.305	4.443	−0.443
28	4.000	4.010	−0.010	4.147	−0.147
29 *	8.000	7.797	0.203	7.694	0.306
30	6.510	6.550	−0.040	6.443	0.067
31	4.670	4.535	0.135	4.871	−0.201
32	4.600	4.569	0.031	4.575	0.025
33	6.510	6.511	−0.001	6.505	0.005
34	4.070	4.034	0.036	4.104	−0.034
35	6.640	6.650	−0.010	6.497	0.143
36	7.921	7.905	0.016	8.133	−0.212
37	6.801	6.932	−0.131	7.004	−0.203
38	6.570	6.494	0.076	6.610	−0.040
39	8.000	8.049	−0.049	7.949	0.051
40	6.611	6.376	0.235	6.911	−0.300
41	8.000	8.001	−0.001	8.021	−0.021
42	6.170	6.003	0.167	6.250	−0.080
43	4.000	4.138	−0.138	4.517	−0.517
44	4.000	4.158	−0.158	4.231	−0.231
45	4.000	3.946	0.054	3.879	0.121
46	5.244	5.201	0.043	5.290	−0.046
47	5.056	4.875	0.181	4.756	0.300
48 *	6.237	6.040	0.197	6.660	−0.423

^*Test set.