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In silico pharmacokinetics prediction (Lipinski parameters) for the top 4 phytochemicals of A. adenophora.
| Pharmacological properties | BODO | 5GDE | MDCQ | MDPC |
|---|---|---|---|---|
| MW | 504.61 | 382.40 | 532.49 | 516.49 |
| n-rotb | 1 | 4 | 11 | 10 |
| n-HbA | 6 | 8 | 12 | 11 |
| n-HbD | 0 | 4 | 6 | 6 |
| ILog P | 3.12 | 2.45 | 2.92 | 2.39 |
| Lipinski violations | 1 | 0 | 3 | 3 |
| Lead likeness violations | 1 | 1 | 2 | 2 |
