Chemoinformaics analysis of N-[(3R,4R,5R)-4,5-DIMETHYL-2-OXOOXOLAN-3-YL]ACETAMIDE
| Molecular Weight | 171.196 | nRot | 1 |
| Heavy Atom Molecular Weight | 158.092 | nRig | 7 |
| Exact Molecular Weight | 171.09 | nRing | 1 |
| Solubility: LogS | -1.345 | nHRing | 1 |
| Solubility: LogP | -0.072 | No. of Aliphatic Rings | 1 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 25 | No. of Aliphatic Hetero Cycles | 1 |
| No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 0 |
| nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 13 | No. of Saturated Hetero Cycles | 1 |
| No. of Carbon atom | 8 | 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 | 25.5343 |
| nHD | 1 | BPOL | 17.0837 |
| QED | 0.568 |
| Synth | 3.687 |
| Natural Product Likeliness | 1.055 |
| NR-PPAR-gamma | 0.007 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Rejected |
| Pgp-inh | 0.001 |
| Pgp-sub | 0.031 |
| HIA | 0.006 |
| CACO-2 | -4.714 |
| MDCK | 0.000120115 |
| BBB | 0.971 |
| PPB | 0.0796374 |
| VDSS | 0.896 |
| FU | 0.82774 |
| CYP1A2-inh | 0.026 |
| CYP1A2-sub | 0.113 |
| CYP2c19-inh | 0.03 |
| CYP2c19-sub | 0.584 |
| CYP2c9-inh | 0.003 |
| CYP2c9-sub | 0.08 |
| CYP2d6-inh | 0.006 |
| CYP2d6-sub | 0.176 |
| CYP3a4-inh | 0.024 |
| CYP3a4-sub | 0.298 |
| CL | 4.096 |
| T12 | 0.822 |
| hERG | 0.003 |
| Ames | 0.022 |
| ROA | 0.012 |
| SkinSen | 0.076 |
| Carcinogencity | 0.098 |
| EI | 0.074 |
| Respiratory | 0.029 |
| NR-Aromatase | 0.003 |
| Antiviral | No |
| Prediction | 0.939807 |