Skip to main content
. 2023 Mar 30;1285:135461. doi: 10.1016/j.molstruc.2023.135461

Table 6.

Toxicity and drug-likeness scores of the compounds 7–12 & 19–36.

Compounds Drug likeness Toxicity
Shape Index Molecular Flexibility Molecular Complexity
Mutagenic Tumorigenic Reproductive Effective Irritant
7 3.98 None High High None 0.48 0.31 0.81
8 3.76 None High High None 0.47 0.31 0.82
9 1.99 None High High None 0.47 0.31 0.87
10 3.83 None High High None 0.47 0.31 0.87
11 3.78 None High High None 0.47 0.31 0.85
12 3.83 None High High None 0.47 0.33 0.86
19 1.74 None None None None 0.52 0.48 0.32
20 1.48 None None None None 0.52 0.45 0.33
21 1.55 None None None None 0.52 0.5 0.33
22 −0.32 None None None None 0.52 0.5 0.33
23 1.47 None None None None 0.52 0.5 0.33
24 1.56 None None None None 0.52 0.54 0.36
25 −0.69 None None None None 0.52 0.35 0.81
26 −0.91 None None None None 0.52 0.35 0.82
27 −0.85 None None None None 0.52 0.35 0.88
28 −2.69 None None None None 0.52 0.35 0.88
29 −0.90 None None None None 0.52 0.35 0.84
30 −0.84 None None None None 0.52 0.36 0.85
31 2.35 None None None None 0.53 0.35 0.85
32 2.12 None None None None 0.51 0.35 0.86
33 2.08 None None None None 0.51 0.35 0.88
34 0.29 None None None None 0.51 0.35 0.88
35 2.08 None None None None 0.51 0.35 0.88
36 2.18 None None None None 0.51 0.36 0.89
INH −5.78 High High High High 0.7 0.48 0.55
PZA −0.68 High High High None 0.67 0.04 0.72