Table 3.
ADME Properties of the selected NPASS compound.
NPASS compound ID | QPlogPo/w (−2.5 to 6.5) | QPlogS (−6.5 to 0.5) | QPlogHERG (above −5.0) | QPPCaco (<25%-poor, >500-great) | QPlogBB (−3 to 1.2) | QPPMDCK (<25%-poor, >500-great) | QPlogKp (−8.0 to −0.1) | QPlogKhsa (−1.5 to 1.5) |
---|---|---|---|---|---|---|---|---|
NPC214620 | −1.19 | −0.09 | −2.24 | 180.67 | −0.96 | 77.83 | −4.61 | −0.91 |
NPC52382 | −0.78 | −1.97 | −3.55 | 384.25 | −0.91 | 175.94 | −3.97 | −0.88 |
NPC270578 | −0.78 | −1.97 | −3.55 | 384.25 | −0.91 | 175.94 | −3.97 | −0.88 |
NPC473043 | −1.02 | −1.92 | −3.24 | 113.29 | −1.32 | 46.99 | −5.01 | −0.78 |
NPC175107 | −2.75 | −1.41 | −3.34 | 65.68 | −1.56 | 26.07 | −5.47 | −1.29 |
NPC22192 | 1.97 | −5.89 | −5.45 | 246.55 | −1.52 | 108.91 | −4.45 | 0.10 |
NPC169474 | 0.52 | −3.52 | −4.92 | 870.98 | −0.68 | 426.10 | −3.48 | −0.56 |
NPC297657 | 0.38 | −2.61 | −3.92 | 131.17 | −1.50 | 55.06 | −4.79 | −0.43 |
NPC19721 | 0.02 | −1.53 | −3.38 | 54.84 | −1.76 | 21.45 | −5.43 | −0.61 |
NPC279121 | 0.55 | −1.89 | −2.97 | 100.45 | −1.31 | 41.27 | −5.11 | −0.33 |
NPC10737 | 0.42 | −3.37 | −4.68 | 516.13 | −0.95 | 242.04 | −3.82 | 77.97 |
NPC137813 | −1.52 | −2.57 | −5.05 | 713.22 | −0.74 | 352.70 | −3.72 | −1.48 |
NPC191146 | 3.08 | −4.94 | −4.32 | 1406.61 | −0.43 | 715.33 | −2.98 | 0.36 |
NPC3825 | 0.98 | −3.29 | −4.12 | 316.75 | −1.05 | 142.79 | −4.23 | −0.32 |
NPC161224 | −8.84 | 2.00 | −4.83 | 5.58 | −1.58 | 4.22 | −8.63 | −3.37 |
NPC226294 | −1.15 | −1.88 | −3.67 | 178.04 | −1.31 | 76.60 | −4.53 | −0.95 |
NPC19709 | −0.891 | −1.973 | −3.159 | 259.635 | −0.931 | 115.172 | −4.401 | −0.766 |
NPC61506 | 1.18 | −2.972 | −4.431 | 85.894 | −1.889 | 34.841 | −5.047 | −0.226 |
NPC107109 | 0.436 | −0.906 | −2.725 | 607.8894 | −0.55 | 288.864 | −3.683 | −0.769 |
NPC130230 | 0.50 | −1.06 | −2.60 | 154.93 | −1.13 | 65.92 | −4.65 | −0.58 |
NPC175552 | 0.08 | −1.76 | −3.51 | 203.24 | −1.22 | 88.39 | −4.42 | −0.60 |