Table 4: Important ADME properties of Oseltamivir conformers as reported from Schrodinger.

Sl. no.MoleculeQPlogSQPlogBBQPlogKpHOAPercent HOA

1Oseltamivir–1.927–0.921–5.303366.024
2Oseltamivir–2.389–0.809–5.120370.229
3Oseltamivir–2.199–1.021–5.420365.346
4Oseltamivir–2.017–0.780–5.121369.130
5Oseltamivir–1.763–0.782–5.110368.065
6Oseltamivir–2.231–0.769–5.086370.294
7Oseltamivir–1.981–0.867–5.222367.360
8Oseltamivir–1.993–0.907–5.304366.440
9Oseltamivir–1.984–0.929–5.340365.989
10Oseltamivir–2.438–0.788–5.078370.885
11Oseltamivir–2.035–0.897–5.285366.988
12Oseltamivir–2.035–0.764–5.102369.586
13Oseltamivir–1.870–0.948–5.375365.114
14Oseltamivir–2.170–0.781–5.107369.772
15Oseltamivir–1.928–0.927–5.312365.961
16Oseltamivir–2.010–0.902–5.293366.648

QPlogS: predicted aqueous solubility.
QPlogBB: predicted brain/blood partition coefficient.
QPlogKp: predicted skin permeability.
HOA: predicted qualitative human oral absorption.
PercentHOA: predicted human oral absorption on 0 to 100% scale.