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

Andrade-Ochoa, S.; Correa-Basurto, J.; Rodríguez-Valdez, L. M.; Sánchez-Torres, L. E.; Nogueda-Torres, B.; Nevárez-Moorillón, G. V.

doi:10.1186/s13065-018-0425-2

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

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

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ISSN: 2661-801X

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