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Prediction of ADME properties of compound 1.
| Parameter | Observed value | Parameter | Observed value | Parameter | Observed value |
|---|---|---|---|---|---|
| HBD | 1 | QPlogS | −5.87 | QPPCaco | 4672.84 |
| HBA | 5.75 | QPlogPw | 8.725 | QPPMDCK | 7235.64 |
| Molecular weight | 376.48 | QPlogPo/w | 4.88 | Human Oral Absorption | 3 |
| PSA | 51.82 | QPlogKhsa | 0.396 | % Human Oral Absorption | 100 |
| metab | 4 | QPlogBB | −0.16 | CNS | 0 |
| #rotor | 9 | QPlogKp | −0.304 | QPloghERG | −6.414 |
