Human Database
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| HMDB00037 | 91.67 | -3.344 | 360.448 | 1.1012 | 5 | 2 | 0 | 0.180557432 | -1.4128 |
| HMDB00038 | 132.33 | -2.679 | 239.234 | -2.4729 | 8 | 5 | 0 | 0.91852167 | 3.3087 |
| HMDB00039 | 37.3 | -0.999 | 88.1055 | 0.6097 | 2 | 1 | 0 | 0.180032882 | -3.94 |
| HMDB00042 | 37.3 | -0.459 | 60.0518 | -0.2991 | 2 | 1 | 0 | 0.116966258 | -2.2628 |
| HMDB00043 | 40.13 | 0.683 | 117.147 | -6.0194 | 3 | 0 | 0 | 0.507040036 | -3.8459 |
| HMDB00044 | 107.22 | -0.349 | 176.124 | -2.4646 | 6 | 4 | 0 | 0.741667757 | 0.023806 |
| HMDB00045 | 186.07 | -0.745 | 347.223 | -5.1538 | 12 | 5 | 1 | 0.462272827 | -20.615 |
| HMDB00048 | 189.53 | 0.551 | 342.296 | -4.4579 | 11 | 8 | 2 | 0.470673084 | -4.6685 |
| HMDB00050 | 139.54 | -2.325 | 267.244 | -1.7396 | 9 | 4 | 0 | 0.604608564 | -0.90819 |
| HMDB00051 | 13.59 | -0.53 | 17.0308 | 0.0 | 1 | 1 | 0 | 0.135608264 | -1.0 |
| HMDB00052 | 185.83 | 0.03 | 290.275 | -4.4188 | 10 | 7 | 1 | 0.479751959 | -10.908 |
| HMDB00053 | 34.14 | -4.112 | 286.413 | 3.6399 | 2 | 0 | 0 | 0.373168245 | 0.7626 |
| HMDB00054 | 164.38 | -5.511 | 584.671 | 3.7687 | 10 | 6 | 2 | 0.181453144 | 0.27029 |
| HMDB00055 | 189.53 | 0.551 | 342.296 | -4.4579 | 11 | 8 | 2 | 0.279940466 | -7.6104 |
| HMDB00056 | 63.32 | -0.298 | 89.0936 | -2.896 | 3 | 2 | 0 | 0.578667969 | -1.6073 |
| HMDB00058 | 154.84 | -1.653 | 329.208 | -3.3406 | 11 | 3 | 1 | 0.463405544 | -29.838 |
| HMDB00060 | 54.37 | -0.651 | 102.089 | -0.4433 | 3 | 1 | 0 | 0.296244378 | -8.8145 |
| HMDB00061 | 232.6 | 0.835 | 427.202 | -8.3976 | 15 | 6 | 2 | 0.425750576 | -19.113 |
| HMDB00062 | 60.36 | 0.542 | 161.2 | -6.1324 | 4 | 1 | 0 | 0.871844545 | 1.1635 |
| HMDB00063 | 94.83 | -3.186 | 362.464 | 1.4168 | 5 | 3 | 0 | 0.497223327 | 3.3157 |
| HMDB00064 | 90.41 | 0.693 | 131.134 | -1.388 | 5 | 3 | 0 | 0.679107986 | -0.53335 |
| HMDB00067 | 20.23 | -6.239 | 386.661 | 7.1825 | 1 | 1 | 1 | 0.167421981 | -2.132 |
| HMDB00068 | 72.72 | -0.464 | 183.206 | -0.3154 | 4 | 4 | 0 | 0.946668732 | 2.574 |
| HMDB00070 | 49.33 | -0.978 | 129.158 | -2.2705 | 3 | 2 | 0 | 0.522922022 | -2.7231 |
| HMDB00071 | 108.97 | -2.023 | 252.229 | -1.4139 | 8 | 3 | 0 | 0.929587381 | 3.0425 |
