Table 3.
ADMET properties of synthesized compounds.
| Absorption | Distribution | Excretion | Toxicity | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| WS | IS | SP | BBBP | CNSP | CYP3A4 | TC | AMES toxicity | Max tolerated dose | HT | SS | |
| 3a | -3.57 | 94.724 | -2.738 | -0.854 | -2.369 | No | 0.181 | Yes | -0.238 | Yes | No |
| 3b | -3.395 | 93.057 | -2.739 | -1.09 | -2.689 | No | 1.147 | No | -0.781 | Yes | No |
| 3c | -3.639 | 93.342 | -2.739 | -1.038 | -2.258 | No | 0.055 | No | -0.293 | Yes | No |
| 3d | -3.571 | 94.41 | -2.738 | -1.076 | -2.418 | No | 0.067 | No | -0.35 | Yes | No |
| 3e | -3.738 | 93.138 | -2.769 | -0.904 | -2.176 | No | -0.102 | No | -0.492 | Yes | No |
| 3f | -3.533 | 94.3 | -2.797 | -0.922 | -2.363 | No | -0.136 | No | -0.542 | Yes | No |
| 3g | -2.987 | 82.281 | -2.735 | -1.014 | -2.54 | No | 0.998 | Yes | 0.221 | Yes | No |
| 3h | -3.935 | 82.358 | -2.802 | -0.82 | -2.455 | No | -0.112 | Yes | -0.781 | Yes | No |
| 3i | -3.77 | 93.634 | -2.996 | -.8360 | -2.468 | No | 0.061 | No | -0.428 | Yes | No |
| 3j | -3.757 | 93.437 | -3.007 | -0.833 | -2.457 | No | -0.009 | No | -0.44 | Yes | No |
| 3k | -3.748 | 93.182 | -3.01 | -0.823 | -2.466 | No | -0.042 | No | -0.463 | Yes | No |
| 4a | -3.79 | 91.409 | -3.044 | -0.688 | -2.391 | No | 0.211 | No | -0.092 | Yes | No |
| 4b | -4.184 | 93.036 | -2.912 | -0.971 | -2.711 | No | 1.071 | No | -0.781 | Yes | No |
| 4c | -4.213 | 90 | -3.02 | -0.875 | -2.282 | No | 0.172 | No | -0.079 | Yes | No |
| 4d | -3.963 | 91.069 | -3.101 | -0.914 | -2.445 | No | 0.097 | No | -0.014 | Yes | No |
| 4e | -4.271 | 89.694 | -3.344 | -0.824 | -2.149 | No | 0.02 | No | -0.104 | Yes | No |
| 4f | -3.843 | 90.829 | -3.386 | -0.842 | -2.335 | No | -0.072 | No | -0.03 | Yes | No |
| 4g | -2.785 | 73.392 | -2.735 | -0.675 | -2.774 | No | 0.656 | No | 0.409 | Yes | No |
| 4h | -4.066 | 82.551 | -2.807 | -0.828 | -2.454 | No | -0.044 | Yes | -0.579 | Yes | No |
| 4i | -3.76 | 94.307 | -3.176 | -0.961 | -2.512 | No | 0.105 | No | -0.472 | Yes | No |
| 4j | -3.754 | 94.11 | -3.213 | -0.958 | -2.501 | No | 0.035 | No | -0.488 | Yes | No |
| 4k | -3.723 | 93.819 | -3.243 | -0.946 | -2.513 | No | 0.002 | No | -0.53 | Yes | No |
Abbreviations: WS: water solubility (Log mol/L); ISA: intestinal solubility (%abs); SP: skin permeability (LogKp); BBBP: blood brain barrier permeability (LogBB); CNSP: CNS permeability (LogPS); TC: total clearance (log ml/min/kg); ORAT: Oral Rat Acute Toxicity; HT: hepatotoxicity; SS: skin sensitization.