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. 2020 May 26;160:1–17. doi: 10.1016/j.ijbiomac.2020.05.184

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