Table 2 In silico ADMET prediction of 1,2,4-oxadiazole linked 5-fluorouracil derivatives (7a–7j)
Compd | Total Molweight | cLogP | cLogS | HAA | HDA | TSA | Nrotb | TPSA | Druglikeness | Mutagenic | Tumorigenic | Reproductive effective | Irritant |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
7a | 364.3 | 2.40 | − 6.49 | 7 | 1 | 268.57 | 4 | 88.33 | − 1.025 | None | None | None | None |
7b | 454.4 | 2.19 | − 6.54 | 10 | 1 | 335.35 | 7 | 116.02 | − 0.96 | None | None | None | None |
7c | 424.3 | 2.26 | − 6.56 | 9 | 1 | 313.09 | 6 | 106.79 | − 0.96 | None | None | None | None |
7d | 394.3 | 2.33 | − 6.50 | 8 | 1 | 290.83 | 5 | 97.56 | − 0.96 | None | None | None | None |
7e | 398.7 | 3.00 | − 7.22 | 7 | 1 | 283.99 | 4 | 88.33 | − 0.97 | None | None | None | None |
7f | 443.2 | 3.12 | − 7.32 | 7 | 1 | 287.2 | 4 | 88.33 | − 2.81 | None | None | None | None |
7g | 409.3 | 1.48 | − 6.95 | 10 | 1 | 292.24 | 5 | 134.15 | − 6.03 | None | None | None | None |
7h | 454.3 | 0.56 | − 7.41 | 13 | 1 | 315.91 | 6 | 179.97 | − 6.03 | None | None | None | None |
7i | 378.3 | 2.74 | − 6.83 | 7 | 1 | 280.83 | 4 | 88.33 | − 1.05 | None | None | None | None |
7j | 533.2 | 1.28 | − 8.24 | 13 | 1 | 334.54 | 6 | 179.97 | − 7.82 | None | None | None | None |