Human Database
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| HMDB00322 | 57.53 | -3.662 | 304.428 | 2.6441 | 3 | 2 | 0 | 0.597593308 | 1.5317 |
| HMDB00323 | 55.12 | -0.784 | 114.147 | -1.0716 | 3 | 2 | 0 | 0.421326245 | -2.6272 |
| HMDB00324 | 57.53 | -4.028 | 304.428 | 2.8255 | 3 | 2 | 0 | 0.546303235 | 1.0684 |
| HMDB00325 | 94.83 | -1.155 | 190.194 | 0.1292 | 5 | 3 | 0 | 0.487053588 | -10.404 |
| HMDB00326 | 97.99 | -4.48 | 408.577 | 3.1794 | 5 | 4 | 0 | 0.516247732 | 0.23822 |
| HMDB00328 | 74.6 | -4.93 | 390.562 | 4.1752 | 4 | 2 | 0 | 0.443949985 | 0.17737 |
| HMDB00329 | 37.3 | -2.232 | 164.203 | 2.0247 | 2 | 1 | 0 | 0.734747161 | 0.26382 |
| HMDB00330 | 97.99 | -4.48 | 408.577 | 3.1794 | 5 | 4 | 0 | 0.39312634 | -1.467 |
| HMDB00331 | 127.09 | -4.247 | 465.628 | 2.2631 | 7 | 5 | 0 | 0.360546065 | -2.1358 |
| HMDB00332 | 111.9 | -2.894 | 376.447 | 0.2778 | 6 | 3 | 0 | 0.20832879 | -0.59926 |
| HMDB00333 | 66.76 | -1.316 | 182.174 | 0.7271 | 4 | 2 | 0 | 0.576070619 | -1.4675 |
| HMDB00335 | 57.53 | -3.672 | 286.37 | 3.1682 | 3 | 2 | 0 | 0.381273975 | 0.3285 |
| HMDB00336 | 57.53 | -0.382 | 104.105 | -0.5531 | 3 | 2 | 0 | 0.527295457 | -2.6435 |
| HMDB00337 | 77.76 | -0.093 | 120.104 | -1.3388 | 4 | 3 | 0 | 0.303066179 | -3.8855 |
| HMDB00338 | 60.69 | -3.724 | 288.386 | 3.5309 | 3 | 3 | 0 | 0.356425696 | 0.10838 |
| HMDB00339 | 66.4 | -0.926 | 159.184 | -0.0883 | 4 | 2 | 0 | 0.655993481 | -0.67161 |
| HMDB00340 | 118.22 | -3.973 | 424.576 | 2.2527 | 6 | 5 | 0 | 0.380332223 | -2.837 |
| HMDB00341 | 74.6 | -1.326 | 172.179 | 0.8988 | 4 | 2 | 0 | 0.485093117 | -13.857 |
| HMDB00343 | 57.53 | -3.775 | 286.37 | 3.6746 | 3 | 2 | 0 | 0.320620159 | -0.41823 |
| HMDB00344 | 38.69 | -4.352 | 316.439 | 4.0823 | 3 | 1 | 0 | 0.313948281 | 0.2045 |
| HMDB00345 | 94.83 | -0.615 | 162.14 | -0.7796 | 5 | 3 | 0 | 0.696295908 | -0.3415 |
| HMDB00346 | 118.22 | 0.165 | 180.155 | -2.4736 | 6 | 5 | 0 | 0.684704259 | -0.45433 |
| HMDB00347 | 60.69 | -3.621 | 288.386 | 3.0245 | 3 | 3 | 0 | 0.347367013 | -0.31086 |
| HMDB00348 | 77.76 | -4.879 | 392.578 | 4.0315 | 4 | 3 | 0 | 0.165193566 | 0.23822 |
| HMDB00349 | 66.76 | -0.175 | 118.088 | -1.7244 | 4 | 2 | 0 | 0.49551813 | -7.3243 |
