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Table 8 Predicted ADMET properties of the designed chromen-2-ones

From: Computational modeling, ligand-based drug design, drug-likeness and ADMET properties studies of series of chromen-2-ones analogues as anti-cancer agents

S/nos Intestinal (human) absorption Distribution Metabolism Total clearance AMES toxicity
Substrate CYP Inhibitors
log BB logPS 2D6 3A4 1A2 2C19 2C9 2D6 3A4
1. 92.714 − 0.199 − 1.989 No Yes No Yes Yes Yes Yes 0.669 Yes
2. 92.52 − 0.087 − 1.886 No Yes No Yes No Yes Yes 0.547 Yes
3. 93.818 − 0.307 − 2.062 No Yes No No No No Yes 0.618 Yes
4. 94.727 − 1.311 − 2.108 Yes Yes No Yes Yes No Yes 0.817 Yes
5. 92.949 − 0.286 − 1.962 No Yes No No No No Yes 0.829 Yes
6. 93.876 − 0.442 − 2.279 No Yes No No Yes Yes Yes 0.727 No
7. 93.605 − 0.359 − 2.149 No Yes No No No No Yes 0.708 Yes
8. 95.354 − 0.457 − 2.220 No Yes No Yes No No Yes 0.882 No
9. 93.338 − 0.308 − 2.053 No Yes No No No No Yes 0.855 Yes
10. 94.033 − 0.340 − 2.161 No Yes No No Yes No Yes 0.661 Yes
11. 95.698 − 1.309 − 2.692 No Yes No Yes Yes No Yes 0.472 No
12. 97.519 − 1.511 − 2.564 No Yes No Yes No No Yes 0.861 No