Chemoinformaics analysis of (2S)-2-AMMONIO-3-(1H-PYRAZOL-1-YL)PROPANOATE
| Molecular Weight | 155.157 | nRot | 3 |
| Heavy Atom Molecular Weight | 146.085 | nRig | 6 |
| Exact Molecular Weight | 155.069 | nRing | 1 |
| Solubility: LogS | -0.577 | nHRing | 1 |
| Solubility: LogP | -2.734 | No. of Aliphatic Rings | 0 |
| Acid Count | 1 | No. of Aromatic Rings | 1 |
| Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 20 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
| nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 9 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 6 | No. of Saturated Rings | 0 |
| No. of Nitrogen atom | 3 | No. of Arom Atom | 5 |
| No. of Oxygen atom | 2 | No. of Arom Bond | 5 |
| nHA | 4 | APOL | 20.9251 |
| nHD | 1 | BPOL | 11.3349 |
| QED | 0.604 |
| Synth | 2.83 |
| Natural Product Likeliness | -1.51 |
| NR-PPAR-gamma | 0.004 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Rejected |
| Pgp-inh | 0 |
| Pgp-sub | 0.018 |
| HIA | 0.031 |
| CACO-2 | -5.921 |
| MDCK | 0.00429039 |
| BBB | 0.579 |
| PPB | 0.0924663 |
| VDSS | 0.465 |
| FU | 0.925328 |
| CYP1A2-inh | 0.018 |
| CYP1A2-sub | 0.048 |
| CYP2c19-inh | 0.083 |
| CYP2c19-sub | 0.058 |
| CYP2c9-inh | 0.04 |
| CYP2c9-sub | 0.417 |
| CYP2d6-inh | 0.097 |
| CYP2d6-sub | 0.213 |
| CYP3a4-inh | 0.009 |
| CYP3a4-sub | 0.036 |
| CL | 6.744 |
| T12 | 0.649 |
| hERG | 0.022 |
| Ames | 0.152 |
| ROA | 0.172 |
| SkinSen | 0.154 |
| Carcinogencity | 0.266 |
| EI | 0.062 |
| Respiratory | 0.055 |
| NR-Aromatase | 0.004 |
| Antiviral | No |
| Prediction | 0.875376 |