Chemoinformaics analysis of L-Proline, 5-oxo-, methyl ester
| Molecular Weight | 143.142 | nRot | 1 |
| Heavy Atom Molecular Weight | 134.07 | nRig | 5 |
| Exact Molecular Weight | 143.058 | nRing | 1 |
| Solubility: LogS | -1.067 | nHRing | 1 |
| Solubility: LogP | -0.427 | No. of Aliphatic Rings | 1 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 19 | 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 | 9 | 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 | 19.5271 |
| nHD | 1 | BPOL | 13.0709 |
| QED | 0.523 |
| Synth | 4.183 |
| Natural Product Likeliness | 0.502 |
| NR-PPAR-gamma | 0.002 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Rejected |
| Pgp-inh | 0 |
| Pgp-sub | 0.02 |
| HIA | 0.01 |
| CACO-2 | -4.639 |
| MDCK | 0.00000864 |
| BBB | 0.452 |
| PPB | 0.149109 |
| VDSS | 1.668 |
| FU | 0.767337 |
| CYP1A2-inh | 0.016 |
| CYP1A2-sub | 0.637 |
| CYP2c19-inh | 0.026 |
| CYP2c19-sub | 0.122 |
| CYP2c9-inh | 0.007 |
| CYP2c9-sub | 0.553 |
| CYP2d6-inh | 0.007 |
| CYP2d6-sub | 0.544 |
| CYP3a4-inh | 0.007 |
| CYP3a4-sub | 0.105 |
| CL | 5.423 |
| T12 | 0.851 |
| hERG | 0.016 |
| Ames | 0.039 |
| ROA | 0.21 |
| SkinSen | 0.101 |
| Carcinogencity | 0.56 |
| EI | 0.985 |
| Respiratory | 0.536 |
| NR-Aromatase | 0.006 |
| Antiviral | No |
| Prediction | 0.954727 |