Table 2. ADMET assets.
| Molecular weight (g mol−1) | Blood–brain barrier (BBB) | % human intestinal absorption (HIA+) | TPSA A2 | log p | nHA | nHD | N rotatable | AMES toxicity | Carcinogenicity | |
|---|---|---|---|---|---|---|---|---|---|---|
| 3a | 409.15 | No | 89.6 | 100.48 | 3.39 | 7 | 2 | 6 | Nontoxic | Noncarcinogenic |
| 3b | 455.16 | No | 92.1 | 129.94 | 2.98 | 9 | 3 | 7 | Nontoxic | Noncarcinogenic |
| 3c | 425.15 | No | 84.3 | 120.71 | 3.08 | 8 | 3 | 6 | Nontoxic | Noncarcinogenic |
| 3d | 425.15 | No | 75.9 | 120.71 | 3.43 | 8 | 3 | 6 | Nontoxic | Noncarcinogenic |
| 3e | 452.20 | No | 83.4 | 103.72 | 3.61 | 8 | 2 | 7 | Nontoxic | Noncarcinogenic |
| 3f | 399.13 | No | 79.1 | 113.62 | 2.90 | 8 | 2 | 6 | Nontoxic | Noncarcinogenic |
| 3g | 435.17 | No | 77.3 | 100.48 | 3.47 | 7 | 2 | 7 | Nontoxic | Noncarcinogenic |