Chemoinformaics analysis of HUMULENE-OXIDE
| Molecular Weight | 30.07 | nRot | 0 |
| Heavy Atom Molecular Weight | 24.022 | nRig | 0 |
| Exact Molecular Weight | 30.0469 | nRing | 0 |
| Solubility: LogS | -1.8 | nHRing | 0 |
| Solubility: LogP | 1.699 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 8 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 2 | No. of Aromatic Carbocycles | 0 |
| nHetero | 0 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 6 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 2 | No. of Saturated Rings | 0 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 0 | No. of Arom Bond | 0 |
| nHA | 0 | APOL | 7.34076 |
| nHD | 0 | BPOL | 6.01924 |
| QED | 0.373 |
| Synth | 2.748 |
| Natural Product Likeliness | 0.025 |
| NR-PPAR-gamma | 0.002 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Rejected |
| Pgp-inh | 0 |
| Pgp-sub | 0.004 |
| HIA | 0.004 |
| CACO-2 | -4.145 |
| MDCK | 0.0000305 |
| BBB | 0.996 |
| PPB | 0.314143 |
| VDSS | 1.349 |
| FU | 0.747397 |
| CYP1A2-inh | 0.809 |
| CYP1A2-sub | 0.863 |
| CYP2c19-inh | 0.081 |
| CYP2c19-sub | 0.885 |
| CYP2c9-inh | 0.019 |
| CYP2c9-sub | 0.472 |
| CYP2d6-inh | 0.015 |
| CYP2d6-sub | 0.58 |
| CYP3a4-inh | 0.007 |
| CYP3a4-sub | 0.268 |
| CL | 9.339 |
| T12 | 0.757 |
| hERG | 0.017 |
| Ames | 0.013 |
| ROA | 0.429 |
| SkinSen | 0.245 |
| Carcinogencity | 0.655 |
| EI | 0.994 |
| Respiratory | 0.201 |
| NR-Aromatase | 0.003 |
| Antiviral | No |
| Prediction | 0.913361 |