Research Article

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

Table 3

Similarity of test compounds with respect to ziprasidone and clozapine.

Compd. no.SimilarityField similarityField scoreVol. similarityVolume scoreShape similarityShape score
Zip.Clz.Zip.Clz.Zip.Clz.Zip.Clz.Zip.Clz.Zip.Clz.Zip.Clz.

70.6960.5660.6390.540−66.121−50.8710.7980.620201.876141.337 0.7520.592190.325134.964
80.6510.5670.5640.482−58.038−41.1510.7410.649186.210147.078 0.7380.652185.787147.697
90.6520.5580.5570.521−58.139−47.6850.7720.589195.325134.285 0.7470.595187.604134.470
100.6320.5790.5750.484−59.279−43.3580.7080.586178.021132.880 0.6890.674173.209152.661
110.7030.5830.6030.553−59.824−49.0150.7300.624190.885147.6190.8020.622209.751147.293
120.6030.5900.4570.556−45.789−48.9180.7780.569202.276133.575 0.7490.625194.708146.938
130.6750.5710.5990.556−62.140−52.7140.7860.615205.549145.517 0.7110.585185.959138.252
140.6750.5730.6060.539−63.004−49.3140.7300.654189.892153.728 0.7440.606193.411142.511
Average0.6610.5730.5750.52959.04247.8780.7550.613193.754144.002 0.7420.619190.094143.098