Human Database
| Molecule Name | topological PSA | cLogS | MW | cLogP | H-Acceptors | H-Donors | Ro5 violations | DrugScore | Druglikeness |
|---|---|---|---|---|---|---|---|---|---|
| HMDB00001 | 81.14 | -0.043 | 169.183 | -3.3726 | 5 | 2 | 0 | 0.493795368 | -7.7417 |
| HMDB00002 | 52.04 | -0.392 | 74.1264 | -1.2174 | 2 | 2 | 0 | 0.194366827 | -2.3195 |
| HMDB00005 | 54.37 | -0.651 | 102.089 | -0.4433 | 3 | 1 | 0 | 0.494505969 | -6.3761 |
| HMDB00008 | 57.53 | -0.6 | 104.105 | -0.4121 | 3 | 2 | 0 | 0.489535622 | -1.1562 |
| HMDB00010 | 46.53 | -4.089 | 300.397 | 3.9503 | 3 | 1 | 0 | 0.306080659 | -0.2895 |
| HMDB00011 | 57.53 | -0.6 | 104.105 | -0.4121 | 3 | 2 | 0 | 0.495300898 | -5.7529 |
| HMDB00012 | 99.1 | -0.99 | 228.203 | -1.6911 | 7 | 3 | 0 | 0.442192844 | -0.31716 |
| HMDB00014 | 108.38 | -1.13 | 227.219 | -2.1825 | 7 | 3 | 0 | 0.50815727 | -3.0255 |
| HMDB00015 | 74.6 | -3.585 | 346.465 | 2.2689 | 4 | 2 | 0 | 0.478393336 | 3.1009 |
| HMDB00016 | 54.37 | -4.035 | 330.466 | 3.0923 | 3 | 1 | 0 | 0.331114135 | 1.4892 |
| HMDB00017 | 90.65 | -0.79 | 183.162 | -0.4013 | 5 | 3 | 0 | 0.568994155 | -1.6461 |
| HMDB00019 | 54.37 | -0.811 | 116.116 | -0.225 | 3 | 1 | 0 | 0.492498102 | -11.242 |
| HMDB00020 | 57.53 | -1.298 | 152.149 | 0.7971 | 3 | 2 | 0 | 0.560480359 | -1.7208 |
| HMDB00021 | 83.55 | -2.261 | 307.082 | -1.4578 | 4 | 3 | 0 | 0.462684195 | -10.404 |
| HMDB00022 | 55.48 | -1.41 | 167.207 | 0.6789 | 3 | 2 | 0 | 0.550074503 | -1.877 |
| HMDB00023 | 57.53 | -0.382 | 104.105 | -0.5531 | 3 | 2 | 0 | 0.527295457 | -2.6435 |
| HMDB00024 | 192.08 | -8.539 | 892.328 | 11.58 | 12 | 6 | 4 | 0.064928473 | -23.067 |
| HMDB00026 | 92.42 | -0.759 | 132.119 | -1.3835 | 5 | 3 | 0 | 0.874727271 | 1.2313 |
| HMDB00027 | 132.0 | -2.564 | 241.25 | -2.523 | 8 | 6 | 1 | 0.916333036 | 2.9847 |
| HMDB00030 | 78.43 | -2.436 | 244.314 | 0.605 | 5 | 3 | 0 | 0.468542707 | -13.535 |
| HMDB00031 | 37.3 | -4.325 | 290.445 | 3.6007 | 2 | 1 | 0 | 0.344608816 | 0.37708 |
| HMDB00032 | 20.23 | -5.975 | 384.645 | 7.078 | 1 | 1 | 1 | 0.141034263 | -2.1199 |
| HMDB00033 | 121.1 | -0.417 | 226.235 | -3.9673 | 7 | 4 | 0 | 0.488691259 | -7.6705 |
| HMDB00034 | 80.48 | -2.269 | 135.13 | -0.347 | 5 | 2 | 0 | 0.093086936 | -0.021492 |
| HMDB00036 | 144.16 | -3.996 | 515.709 | 1.2391 | 8 | 5 | 1 | 0.31336337 | -4.8607 |
