Human Database
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| HMDB00121 | 208.99 | -3.182 | 441.403 | -1.9551 | 13 | 6 | 2 | 0.387946336 | -9.0275 |
| HMDB00122 | 110.38 | 0.251 | 180.155 | -2.6208 | 6 | 5 | 0 | 0.504361353 | -3.7768 |
| HMDB00123 | 63.32 | -0.028 | 75.0667 | -3.3504 | 3 | 2 | 0 | 0.345157132 | -1.6721 |
| HMDB00124 | 164.75 | 2.075 | 260.134 | -6.4208 | 9 | 6 | 1 | 0.291890165 | -20.32 |
| HMDB00125 | 158.82 | -0.99 | 307.326 | -4.8991 | 9 | 5 | 0 | 0.473204469 | -23.224 |
| HMDB00126 | 107.22 | 1.739 | 172.072 | -4.6874 | 6 | 4 | 0 | 0.494899762 | -19.886 |
| HMDB00127 | 127.45 | 0.269 | 194.138 | -2.9704 | 7 | 5 | 0 | 0.599128578 | -1.2853 |
| HMDB00128 | 99.2 | 0.331 | 117.108 | -1.6545 | 5 | 4 | 0 | 0.630477572 | -0.98869 |
| HMDB00130 | 77.76 | -1.002 | 168.148 | 0.4514 | 4 | 3 | 0 | 0.337506981 | -1.7208 |
| HMDB00131 | 60.69 | 0.159 | 92.0935 | -1.4436 | 3 | 3 | 0 | 0.111936659 | -3.0756 |
| HMDB00132 | 96.16 | -2.007 | 151.129 | -1.4138 | 6 | 3 | 0 | 0.93388205 | 2.5783 |
| HMDB00133 | 155.22 | -1.718 | 283.243 | -2.6909 | 10 | 5 | 0 | 0.571603243 | -1.348 |
| HMDB00134 | 74.6 | -0.246 | 116.072 | -0.9188 | 4 | 2 | 0 | 0.199926309 | 1.9085 |
| HMDB00138 | 127.09 | -4.247 | 465.628 | 2.2631 | 7 | 5 | 0 | 0.360546065 | -2.1358 |
| HMDB00139 | 77.76 | 0.177 | 106.077 | -1.7932 | 4 | 3 | 0 | 0.713898725 | -0.2455 |
| HMDB00140 | 148.71 | -9.685 | 812.265 | 13.195 | 9 | 6 | 3 | 0.064542794 | -27.539 |
| HMDB00142 | 37.3 | -0.628 | 46.0249 | -0.6699 | 2 | 1 | 0 | 0.118319162 | -2.125 |
| HMDB00143 | 110.38 | 0.251 | 180.155 | -2.6208 | 6 | 5 | 0 | 0.504361353 | -3.7768 |
| HMDB00145 | 37.3 | -4.071 | 270.371 | 4.0203 | 2 | 1 | 0 | 0.301372782 | -0.41823 |
| HMDB00148 | 100.62 | -0.421 | 147.129 | -3.3586 | 5 | 3 | 0 | 0.493849851 | -18.651 |
| HMDB00149 | 46.25 | -0.046 | 61.0836 | -1.274 | 2 | 2 | 0 | 0.119481451 | -2.0495 |
| HMDB00150 | 107.22 | 0.083 | 178.139 | -2.8365 | 6 | 4 | 0 | 0.493797126 | -6.769 |
| HMDB00151 | 40.46 | -4.02 | 272.387 | 3.8766 | 2 | 2 | 0 | 0.560770909 | 0.10838 |
| HMDB00152 | 77.76 | -1.037 | 154.121 | 0.4533 | 4 | 3 | 0 | 0.20004537 | -1.8442 |
| HMDB00153 | 60.69 | -3.621 | 288.386 | 3.0245 | 3 | 3 | 0 | 0.347367013 | -0.31086 |
