Chemoinformaics analysis of (2R,4R)-4-hydroxypiperidine-2-carboxylic acid
| Molecular Weight | 145.158 | nRot | 1 |
| Heavy Atom Molecular Weight | 134.07 | nRig | 7 |
| Exact Molecular Weight | 145.074 | nRing | 1 |
| Solubility: LogS | -0.458 | nHRing | 1 |
| Solubility: LogP | -2.568 | No. of Aliphatic Rings | 1 |
| Acid Count | 1 | No. of Aromatic Rings | 0 |
| Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 21 | No. of Aliphatic Hetero Cycles | 1 |
| No. of Heavy Atom | 10 | No. of Aromatic Carbocycles | 0 |
| nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 11 | No. of Saturated Hetero Cycles | 1 |
| No. of Carbon atom | 6 | No. of Saturated Rings | 1 |
| No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
| nHA | 3 | APOL | 20.8607 |
| nHD | 3 | BPOL | 12.4733 |
| QED | 0.451 |
| Synth | 3.269 |
| Natural Product Likeliness | 1.739 |
| NR-PPAR-gamma | 0.006 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Rejected |
| Pgp-inh | 0 |
| Pgp-sub | 0.02 |
| HIA | 0.132 |
| CACO-2 | -6.012 |
| MDCK | 0.000676557 |
| BBB | 0.411 |
| PPB | 0.111624 |
| VDSS | 0.593 |
| FU | 0.941677 |
| CYP1A2-inh | 0.008 |
| CYP1A2-sub | 0.061 |
| CYP2c19-inh | 0.033 |
| CYP2c19-sub | 0.065 |
| CYP2c9-inh | 0.006 |
| CYP2c9-sub | 0.475 |
| CYP2d6-inh | 0.005 |
| CYP2d6-sub | 0.18 |
| CYP3a4-inh | 0.003 |
| CYP3a4-sub | 0.019 |
| CL | 5.336 |
| T12 | 0.723 |
| hERG | 0.019 |
| Ames | 0.017 |
| ROA | 0.045 |
| SkinSen | 0.373 |
| Carcinogencity | 0.07 |
| EI | 0.841 |
| Respiratory | 0.341 |
| NR-Aromatase | 0.004 |
| Antiviral | No |
| Prediction | 0.952995 |