Table 3.
Physicochemical properties of selected potential compounds and reference fungicide compounds.
| Compounds | MW (g/mol) | RB | HBA | HBD | miLogP | Lipinski | TPSA (Å2) | Synthetic accessibility |
|---|---|---|---|---|---|---|---|---|
| Alternariol-monomethyl-ether | 272.25 | 1 | 5 | 2 | 2.74 | Yes | 79.9 | 2.83 |
| Cryptocin | 361.48 | 3 | 4 | 1 | 0.89 | Yes | 74.68 | 4.76 |
| Chaetoviridin-A | 432.89 | 6 | 6 | 1 | 3.22 | Yes | 89.9 | 5.68 |
| GKK1032A2 | 503.67 | 1 | 2 | 4 | 5.08 | Yes | 75.63 | 7.28 |
| Tanzawaic-acid-L | 288.38 | 3 | 3 | 2 | 3.19 | Yes | 57.53 | 5.16 |
| Camptothecin | 348.35 | 1 | 5 | 1 | 2.03 | Yes | 81.2 | 3.84 |
| Rocaglaol | 434.48 | 5 | 6 | 2 | 4.48 | Yes | 77.38 | 4.85 |
| HDFO | 248.32 | 0 | 3 | 1 | 1.51 | Yes | 46.53 | 4.02 |
| Azoxystrobin | 403.39 | 8 | 8 | 0 | 3.38 | Yes | 103.56 | 3.42 |
| Strobilurin | 442.5 | 6 | 7 | 1 | 4.92 | Yes | 83.45 | 5.6 |
MW molecular weight, RB rotatable bond, HBA hydrogen bond acceptor, HBD hydrogen bond donor, TPSA topological surface area.