Chemoinformaics analysis of 2-BUTAN-2-YLCYCLOPENTAN-1-ONE
| Molecular Weight | 140.226 | nRot | 2 |
| Heavy Atom Molecular Weight | 124.098 | nRig | 1 |
| Exact Molecular Weight | 140.12 | nRing | 1 |
| Solubility: LogS | -4.7 | nHRing | 0 |
| Solubility: LogP | 4.724 | No. of Aliphatic Rings | 1 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
| Atoms Count | 26 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 10 | No. of Aromatic Carbocycles | 0 |
| nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 1 |
| No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 9 | 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 | 26.5007 |
| nHD | 0 | BPOL | 16.9193 |
| QED | 0.419 |
| Synth | 1.615 |
| Natural Product Likeliness | 0.344 |
| NR-PPAR-gamma | 0.024 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Rejected |
| Golden Triangle | Accepted |
| Pgp-inh | 0.596 |
| Pgp-sub | 0.004 |
| HIA | 0.003 |
| CACO-2 | -4.547 |
| MDCK | 0.0000222 |
| BBB | 0.971 |
| PPB | 0.939917 |
| VDSS | 0.645 |
| FU | 0.0527223 |
| CYP1A2-inh | 0.965 |
| CYP1A2-sub | 0.576 |
| CYP2c19-inh | 0.702 |
| CYP2c19-sub | 0.477 |
| CYP2c9-inh | 0.502 |
| CYP2c9-sub | 0.91 |
| CYP2d6-inh | 0.035 |
| CYP2d6-sub | 0.113 |
| CYP3a4-inh | 0.267 |
| CYP3a4-sub | 0.12 |
| CL | 7.156 |
| T12 | 0.64 |
| hERG | 0.093 |
| Ames | 0.007 |
| ROA | 0.038 |
| SkinSen | 0.934 |
| Carcinogencity | 0.157 |
| EI | 0.977 |
| Respiratory | 0.789 |
| NR-Aromatase | 0.022 |
| Antiviral | No |
| Prediction | 0.938259 |