Chemoinformaics analysis of 2,2-DIMETHYL-3-(3-METHYLENEPENT-4-ENYL)OXIRANE
| Molecular Weight | 152.237 | nRot | 4 |
| Heavy Atom Molecular Weight | 136.109 | nRig | 5 |
| Exact Molecular Weight | 152.12 | nRing | 1 |
| Solubility: LogS | -2.236 | nHRing | 1 |
| Solubility: LogP | 2.623 | No. of Aliphatic Rings | 1 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 27 | No. of Aliphatic Hetero Cycles | 1 |
| No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
| nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 1 |
| No. of Carbon atom | 10 | No. of Saturated Rings | 1 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
| nHA | 1 | APOL | 28.1707 |
| nHD | 0 | BPOL | 17.7873 |
| QED | 0.445 |
| Synth | 3.768 |
| Natural Product Likeliness | 3.389 |
| NR-PPAR-gamma | 0.428 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Rejected |
| Pgp-inh | 0.018 |
| Pgp-sub | 0 |
| HIA | 0.003 |
| CACO-2 | -4.496 |
| MDCK | 0.0000284 |
| BBB | 0.791 |
| PPB | 0.635735 |
| VDSS | 1.686 |
| FU | 0.373243 |
| CYP1A2-inh | 0.078 |
| CYP1A2-sub | 0.146 |
| CYP2c19-inh | 0.036 |
| CYP2c19-sub | 0.871 |
| CYP2c9-inh | 0.053 |
| CYP2c9-sub | 0.425 |
| CYP2d6-inh | 0.003 |
| CYP2d6-sub | 0.8 |
| CYP3a4-inh | 0.012 |
| CYP3a4-sub | 0.319 |
| CL | 7.639 |
| T12 | 0.515 |
| hERG | 0.007 |
| Ames | 0.039 |
| ROA | 0.036 |
| SkinSen | 0.9 |
| Carcinogencity | 0.851 |
| EI | 0.906 |
| Respiratory | 0.962 |
| NR-Aromatase | 0.035 |
| Antiviral | No |
| Prediction | 0.918841 |