Predicted ADMET profiles of the title compounds (8a–g and 9a–d).
| Com. | BBB | Caco2 | PPB | MDCK | HIA% | Toxicity |
|---|---|---|---|---|---|---|
| Rule | >0.40 | 4–70 | >90 | 25–500 | 20–100 | Negative |
| 8a | 0.394438 | 15.49632 | 70.650233 | 25.10452 | 46.184572 | Negative |
| 8b | 0.846620 | 60.36412 | 95.854201 | 31.65632 | 79.564202 | Negative |
| 8c | 0.798246 | 71.55320 | 97.664402 | 38.48920 | 88.624180 | Negative |
| 8d | 0.557214 | 65.43210 | 95.366320 | 43.56974 | 83.554630 | Negative |
| 8e | 0.974248 | 80.42152 | 92.187240 | 51.69202 | 80.968742 | Negative |
| 8f | 0.881146 | 82.36421 | 97.320045 | 60.45325 | 73.568940 | Negative |
| 8g | 0.955226 | 78.99124 | 91.664025 | 66.45872 | 73.202145 | Negative |
| 9a | 0.687236 | 69.10145 | 85.366240 | 59.88724 | 81.664524 | Negative |
| 9b | 0.421078 | 14.64320 | 68.442052 | 14.65234 | 66.387552 | Negative |
| 9c | 0.604482 | 22.74322 | 88.924210 | 55.46320 | 70.338564 | Negative |
| 9d | 0.388460 | 15.32104 | 68.361450 | 14.02520 | 50.345892 | Negative |
| Celecoxib | 0.271436 | 13.56965 | 38.972004 | 22.82750 | 45.302456 | Negative |