Molecular-Field-Based Three-Dimensional Similarity Studies on Quinoline-Based CNS Active Agents

Table 2

Similarity of test compounds with respect to risperidone and ketanserin.

Compd. no.	Similarity		Field similarity		Field score		Vol. Similarity		Volume score		Shape similarity		Shape score
	Ris.	Ket.	Ris.	Ket.	Ris.	Ket.	Ris.	Ket.	Ris.	Ket.	Ris.	Ket.	Ris.	Ket.
7	0.620	0.672	0.483	0.539	−48.519	−52.436	0.806	0.787	204.854	193.544	0.756	0.804	192.146	197.828
8	0.619	0.648	0.541	0.480	−50.853	−46.808	0.709	0.784	201.876	191.679	0.697	0.815	175.958	199.110
9	0.659	0.686	0.552	0.576	−55.523	−57.483	0.783	0.802	198.906	197.155	0.766	0.795	193.085	193.834
10	0.610	0.683	0.525	0.565	−49.877	−55.710	0.748	0.772	189.082	188.609	0.696	0.801	175.690	195.756
11	0.661	0.689	0.542	0.594	−53.226	−59.520	0.740	0.799	194.220	203.325	0.781	0.783	205.048	199.232
12	0.626	0.659	0.512	0.501	−48.374	−49.907	0.770	0.803	200.828	202.951	0.740	0.818	193.227	206.720
13	0.676	0.721	0.581	0.635	−56.250	−64.061	0.824	0.820	216.246	208.667	0.772	0.808	202.659	205.442
14	0.658	0.716	0.549	0.610	−53.264	−58.534	0.745	0.802	194.555	202.734	0.768	0.823	200.627	208.108
Average	0.641	0.684	0.536	0.563	−51.986	−55.557	0.766	0.796	200.070	198.583	0.747	0.806	192.305	200.754