Table 3. Predicted ADME properties and drug-likeness parameters of the synthesized heterocycles derived from 2(3H)-furanone 1. Key pharmacokinetic descriptors, including molecular weight (MW), topological polar surface area (TPSA), and lipophilicity (iLOGP), along with gastrointestinal (GI) absorption, blood–brain barrier (BBB) permeability, P-glycoprotein (P-gp) substrate prediction, and bioavailability score, were estimated using the SwissADME web tool. These parameters reflect the overall physicochemical balance and predicted oral bioavailability of the tested insecticidal candidates.
| Compound | Molecular weight (g mol−1) | TPSA (Å2) | Log P (iLOGP) | GI absorption | BBB permeability | P-gp substrate | Bioavailability score |
|---|---|---|---|---|---|---|---|
| 1 | 292.33 | 35.53 | 3.36 | High | Yes | No | 0.55 |
| 2 | 291.34 | 38.33 | 3.20 | High | Yes | No | 0.55 |
| 3 | 399.48 | 55.40 | 3.50 | High | Yes | Yes | 0.55 |
| 4 | 397.47 | 38.77 | 4.36 | High | Yes | No | 0.55 |
| 5 | 425.48 | 55.84 | 4.49 | High | Yes | No | 0.55 |
| 7 | 411.45 | 69.40 | 3.45 | High | No | No | 0.55 |
| 8 | 410.46 | 72.05 | 3.33 | High | No | No | 0.55 |
| 9 | 407.46 | 59.39 | 4.16 | High | Yes | No | 0.55 |
| 10 | 306.36 | 54.98 | 2.99 | High | Yes | No | 0.55 |
| 11 | 322.42 | 70.00 | 3.21 | High | Yes | No | 0.55 |
| 12 | 324.81 | 56.15 | 3.54 | High | Yes | No | 0.55 |
| 13 | 335.40 | 62.09 | 3.45 | High | Yes | No | 0.55 |
| 14 | 349.39 | 72.65 | 2.88 | High | No | No | 0.55 |