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Table 7 Topological descriptors calculated

From: In vitro and in silico studies of terpenes, terpenoids and related compounds with larvicidal and pupaecidal activity against Culex quinquefasciatus Say (Diptera: Culicidae)

Mol. J TIE UNIP CENT VAR BAC Lop ICR CSI ECC PHI
1 2.174 10.042 21 40 14 9 1.261 1.922 100 52 2.185
2 2.396 18.594 16 70 13 17 0.845 1.322 73 36 1.135
3 2.037 10.135 17 46 12 10 0.853 1.571 84 40 1.073
4 2.396 14.877 21 73 14 18 1.16 1.868 99 52 2.3
5 2.396 18.074 21 73 14 18 1.16 1.868 99 52 2.504
6 2.396 19.928 21 73 14 18 1.16 1.868 99 52 2.941
7 2.396 18.471 21 73 14 18 1.16 1.868 99 52 2.281
8 2.396 18.314 21 73 14 18 1.16 1.868 99 52 2.717
9 2.059 19.097 29 144 20 17 0.788 1.531 148 72 2.328
10 3.1 25.28 26 102 22 29 2.187 2.231 122 70 5.82
11 3.1 24.613 26 102 22 29 2.187 2.231 122 70 6.24
12 2.231 6.729 13 18 6 5 0.875 1 54 28 1.31
13 2.279 7.081 12 24 6 5 0.875 1 54 28 1.31
14 2.243 13.72 23 71 19 14 1.273 1.936 113 59 2.425
15 2.26 9.324 18 60 14 11 1.185 1.971 88 46 2.103
16 2.396 20.345 21 73 14 18 1.16 1.868 99 52 2.483
17 2.396 11.627 21 73 14 18 1.16 1.868 99 52 2.33
18 2.369 11.204 14 48 8 10 0.853 0.722 58 28 1.068
19 3.1 21.175 26 102 22 29 2.187 2.231 122 70 5.452
20 3.1 20.675 26 102 22 29 2.187 2.231 122 70 5.858
21 2.45 24.92 38 158 22 18 1.029 1.506 171 88 4.873
22 2.453 23.917 41 103 18 17 0.769 0.918 166 85 4.379
23 2.512 28.931 23 102 18 27 1.124 1.855 110 58 2.383
24 2.512 31.085 23 102 18 27 1.124 1.855 110 58 2.573
25 2.32 11.61 17 64 12 11 1.185 1.522 80 42 2.073
26 2.396 17.859 16 70 13 17 0.845 1.322 73 36 1.258
27 2.437 20.001 20 80 16 18 1.16 1.936 95 50 2.717
28 2.437 20.893 20 80 16 18 1.16 1.936 95 50 2.695
29 3.631 30.981 25 146 24 42 1.888 1.959 118 68 5.733
30 2.26 11.025 18 60 14 11 1.185 1.971 88 46 2.311
31 3.376 29.883 24 96 18 37 1.859 1.936 109 63 4.126
32 2.437 20.222 20 80 16 18 1.16 1.936 95 50 2.941
33 2.437 20.893 20 80 16 18 1.16 1.936 95 50 2.695
34 3.033 15.472 22 72 16 28 1.922 1.971 98 57 4.649
35 2.437 20.001 20 80 16 18 1.16 1.936 95 50 2.717
36 2.243 16.093 23 71 19 14 1.273 1.936 113 59 2.641
37 2.26 10.108 18 60 14 11 1.185 1.971 88 46 2.311
38 2.156 10.238 16 44 10 10 0.853 1 74 35 1.073
39 2.156 10.914 16 44 10 10 0.853 1 74 35 1.073
40 2.437 18.381 20 80 16 18 1.16 1.936 95 50 2.483
41 2.044 19.068 23 86 16 18 1.126 1.959 114 55 1.464
42 2.106 10.81 15 64 13 11 1.185 1.571 80 39 1.073
43 2.26 10.108 18 60 14 11 1.185 1.971 88 46 2.311
44 2.26 9.965 18 60 14 11 1.185 1.971 88 46 2.311
45 2.481 20.27 19 87 18 18 1.16 1.981 97 51 2.382
46 2.394 19.231 20 84 18 18 1.16 1.936 99 52 2.382
47 2.362 20.311 22 66 14 18 1.16 1.936 99 52 2.382
48 2.362 18.58 22 66 14 18 1.16 1.936 99 52 2.382
49 2.26 9.616 18 60 14 11 1.185 1.971 88 46 2.311
50 2.437 15.124 20 80 16 18 1.16 1.936 95 50 2.3
  1. J, Balaban-like index; TIE, E-state topological parameter; UNIP, unipolarity; CENT, centralization; VAR, variation; BAC, Balaban centric index; LOP, lopping centric index; ICR, radial centric; CSI, eccentric connectivity index; ECC, eccentricity; PHI, Kier flexibility index