Table 8. In silico toxicity properties for synthesized compounds as calculated by ‘ADMETlab 2.0’ (https://admetmesh.scbdd.com/).
| Compounds | hERG | H-HT | DILI | AMES toxicity | Rat oral acute toxicity | FDAMDD | Skin sensitization | Carcinogenicity | Eye corrosion | Eye irritation | Respiratory toxicity |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 4a | 0.055 | 0.881 | 0.979 | 0.998 | 0.076 | 0.526 | 0.52 | 0.971 | 0.133 | 0.97 | 0.899 |
| 4b | 0.011 | 0.832 | 0.978 | 0.99 | 0.15 | 0.499 | 0.254 | 0.955 | 0.028 | 0.946 | 0.922 |
| 4c | 0.008 | 0.889 | 0.976 | 0.993 | 0.117 | 0.262 | 0.283 | 0.96 | 0.081 | 0.967 | 0.914 |
| 4d | 0.016 | 0.926 | 0.976 | 0.993 | 0.132 | 0.417 | 0.289 | 0.97 | 0.04 | 0.958 | 0.912 |
| 4e | 0.012 | 0.885 | 0.979 | 0.994 | 0.127 | 0.701 | 0.243 | 0.97 | 0.016 | 0.962 | 0.874 |
| 4f | 0.007 | 0.905 | 0.971 | 0.984 | 0.175 | 0.383 | 0.159 | 0.941 | 0.032 | 0.917 | 0.95 |
| 4g | 0.026 | 0.982 | 0.984 | 0.988 | 0.521 | 0.665 | 0.132 | 0.97 | 0.004 | 0.294 | 0.916 |
| 4h | 0.011 | 0.65 | 0.977 | 0.98 | 0.105 | 0.457 | 0.328 | 0.957 | 0.199 | 0.973 | 0.936 |
| 4i | 0.006 | 0.881 | 0.976 | 0.993 | 0.258 | 0.298 | 0.337 | 0.959 | 0.136 | 0.974 | 0.933 |
| 4j | 0.013 | 0.711 | 0.977 | 0.986 | 0.055 | 0.668 | 0.25 | 0.955 | 0.025 | 0.916 | 0.947 |
| 4k | 0.007 | 0.857 | 0.977 | 0.989 | 0.165 | 0.303 | 0.292 | 0.962 | 0.063 | 0.966 | 0.932 |
| 4l | 0.03 | 0.952 | 0.978 | 0.993 | 0.273 | 0.762 | 0.323 | 0.967 | 0.036 | 0.955 | 0.94 |
| 4m | 0.009 | 0.85 | 0.975 | 0.988 | 0.122 | 0.664 | 0.28 | 0.954 | 0.056 | 0.934 | 0.921 |
| 4n | 0.008 | 0.865 | 0.974 | 0.987 | 0.182 | 0.568 | 0.323 | 0.962 | 0.088 | 0.959 | 0.934 |