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. | Similarity | Field similarity | Field score | Vol. similarity | Volume score | Shape similarity | Shape score | | Zip. | Clz. | Zip. | Clz. | Zip. | Clz. | Zip. | Clz. | Zip. | Clz. | Zip. | Clz. | Zip. | Clz. |
| 7 | 0.696 | 0.566 | 0.639 | 0.540 | −66.121 | −50.871 | 0.798 | 0.620 | 201.876 | 141.337 | 0.752 | 0.592 | 190.325 | 134.964 | 8 | 0.651 | 0.567 | 0.564 | 0.482 | −58.038 | −41.151 | 0.741 | 0.649 | 186.210 | 147.078 | 0.738 | 0.652 | 185.787 | 147.697 | 9 | 0.652 | 0.558 | 0.557 | 0.521 | −58.139 | −47.685 | 0.772 | 0.589 | 195.325 | 134.285 | 0.747 | 0.595 | 187.604 | 134.470 | 10 | 0.632 | 0.579 | 0.575 | 0.484 | −59.279 | −43.358 | 0.708 | 0.586 | 178.021 | 132.880 | 0.689 | 0.674 | 173.209 | 152.661 | 11 | 0.703 | 0.583 | 0.603 | 0.553 | −59.824 | −49.015 | 0.730 | 0.624 | 190.885 | 147.619 | 0.802 | 0.622 | 209.751 | 147.293 | 12 | 0.603 | 0.590 | 0.457 | 0.556 | −45.789 | −48.918 | 0.778 | 0.569 | 202.276 | 133.575 | 0.749 | 0.625 | 194.708 | 146.938 | 13 | 0.675 | 0.571 | 0.599 | 0.556 | −62.140 | −52.714 | 0.786 | 0.615 | 205.549 | 145.517 | 0.711 | 0.585 | 185.959 | 138.252 | 14 | 0.675 | 0.573 | 0.606 | 0.539 | −63.004 | −49.314 | 0.730 | 0.654 | 189.892 | 153.728 | 0.744 | 0.606 | 193.411 | 142.511 | Average | 0.661 | 0.573 | 0.575 | 0.529 | −59.042 | −47.878 | 0.755 | 0.613 | 193.754 | 144.002 | 0.742 | 0.619 | 190.094 | 143.098 |
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