Chemoinformaics analysis of 1,4-DINITROPIPERAZINE
| Molecular Weight | 176.132 | nRot | 2 |
| Heavy Atom Molecular Weight | 168.068 | nRig | 8 |
| Exact Molecular Weight | 176.055 | nRing | 1 |
| Solubility: LogS | -1.681 | nHRing | 1 |
| Solubility: LogP | 0.315 | No. of Aliphatic Rings | 1 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 20 | No. of Aliphatic Hetero Cycles | 1 |
| No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 0 |
| nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 8 | No. of Saturated Hetero Cycles | 1 |
| No. of Carbon atom | 4 | No. of Saturated Rings | 1 |
| No. of Nitrogen atom | 4 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
| nHA | 4 | APOL | 19.6223 |
| nHD | 0 | BPOL | 11.4977 |
| QED | 0.395 |
| Synth | 3.667 |
| Natural Product Likeliness | -0.488 |
| NR-PPAR-gamma | 0.007 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Rejected |
| Pgp-inh | 0.001 |
| Pgp-sub | 0.016 |
| HIA | 0.004 |
| CACO-2 | -4.657 |
| MDCK | 0.000353422 |
| BBB | 0.04 |
| PPB | 0.41924 |
| VDSS | 1.29 |
| FU | 0.666115 |
| CYP1A2-inh | 0.08 |
| CYP1A2-sub | 0.071 |
| CYP2c19-inh | 0.466 |
| CYP2c19-sub | 0.105 |
| CYP2c9-inh | 0.261 |
| CYP2c9-sub | 0.855 |
| CYP2d6-inh | 0.008 |
| CYP2d6-sub | 0.824 |
| CYP3a4-inh | 0.01 |
| CYP3a4-sub | 0.13 |
| CL | 5.845 |
| T12 | 0.9 |
| hERG | 0.114 |
| Ames | 1 |
| ROA | 0.431 |
| SkinSen | 0.841 |
| Carcinogencity | 0.946 |
| EI | 0.921 |
| Respiratory | 0.042 |
| NR-Aromatase | 0.004 |
| Antiviral | No |
| Prediction | 0.890854 |