Table 4.
Ligand efficacy prediction value.
| Ligands | cLogP | cLogS | LE | LLE | LELP | Mutagenic | Tumorigenic | Irritant |
|---|---|---|---|---|---|---|---|---|
| 3a | 1.65 | -2.722 | 0.4819 | 7.1314 | 3.4256 | None | None | None |
| 3b | 3.3655 | -3.319 | 0.4707 | 5.1075 | 7.5279 | None | None | None |
| 3c | 2.2568 | -3.458 | 0.4562 | 6.389 | 4.9469 | None | None | None |
| 3d | 1.7517 | -3.036 | 0.46204 | 7.0048 | 3.7913 | None | None | None |
| 3e | 2.456 | -4.078 | 0.4724 | 6.1571 | 5.1921 | None | None | None |
| 3f | 1.828 | -3.558 | 0.47949 | 6.909 | 3.814 | None | None | None |
| 3g | 1.6971 | -3.726 | 0.44562 | 7.0732 | 3.8084 | None | None | None |
| 3h | 0.8064 | -3.704 | 0.46204 | 8.287 | 1.7453 | None | None | None |
| 3i | 1.658 | -3.262 | 0.4633 | 7.1224 | 3.5787 | None | None | None |
| 3j | 1.658 | -3.262 | 0.4633 | 7.1224 | 3.5787 | None | None | None |
| 3k | 1.658 | -3.262 | 0.4633 | 7.1224 | 3.5787 | None | None | None |
| 4a | 1.6509 | -2.722 | 0.4819 | 7.1314 | 3.4256 | None | None | None |
| 4b | 3.3655 | -3.319 | 0.44707 | 5.1075 | 7.5279 | None | None | None |
| 4c | 2.2569 | -3.458 | 0.4562 | 6.3896 | 4.9469 | None | None | None |
| 4d | 1.7517 | -3.036 | 0.46204 | 7.0048 | 3.7913 | None | None | None |
| 4e | 2.4532 | -4.078 | 0.47249 | 6.1571 | 5.1921 | None | None | None |
| 4f | 1.8288 | -3.558 | 0.47949 | 6.909 | 5.1921 | None | None | None |
| 4g | 1.6971 | -3.726 | 0.47949 | 6.909 | 3.814 | None | None | None |
| 4h | 0.8064 | -3.704 | 0.44562 | 7.0732 | 3.8084 | None | None | None |
| 4i | 1.658 | -3.262 | 0.46204 | 8.287 | 1.7453 | None | None | None |
| 4j | 1.658 | -3.262 | 0.4633 | 70122 | 3.5787 | None | None | None |
| 4k | 1.658 | -3.262 | 0.4633 | 70122 | 3.5787 | None | None | None |