Chemoinformaics analysis of 4-Ethylbenzoicacid
| Molecular Weight | 150.177 | nRot | 2 |
| Heavy Atom Molecular Weight | 140.097 | nRig | 7 |
| Exact Molecular Weight | 150.068 | nRing | 1 |
| Solubility: LogS | -3.162 | nHRing | 0 |
| Solubility: LogP | 2.826 | No. of Aliphatic Rings | 0 |
| Acid Count | 1 | No. of Aromatic Rings | 1 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 21 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 1 |
| nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 10 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 9 | No. of Saturated Rings | 0 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
| No. of Oxygen atom | 2 | No. of Arom Bond | 6 |
| nHA | 1 | APOL | 23.3019 |
| nHD | 1 | BPOL | 10.9001 |
| QED | 0.699 |
| Synth | 1.271 |
| Natural Product Likeliness | -0.439 |
| NR-PPAR-gamma | 0.007 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Rejected |
| Pgp-inh | 0 |
| Pgp-sub | 0.003 |
| HIA | 0.005 |
| CACO-2 | -4.611 |
| MDCK | 0.0000205 |
| BBB | 0.295 |
| PPB | 0.825192 |
| VDSS | 0.189 |
| FU | 0.120059 |
| CYP1A2-inh | 0.122 |
| CYP1A2-sub | 0.234 |
| CYP2c19-inh | 0.081 |
| CYP2c19-sub | 0.057 |
| CYP2c9-inh | 0.116 |
| CYP2c9-sub | 0.113 |
| CYP2d6-inh | 0.031 |
| CYP2d6-sub | 0.09 |
| CYP3a4-inh | 0.032 |
| CYP3a4-sub | 0.129 |
| CL | 1.927 |
| T12 | 0.886 |
| hERG | 0.108 |
| Ames | 0.006 |
| ROA | 0.382 |
| SkinSen | 0.107 |
| Carcinogencity | 0.035 |
| EI | 0.99 |
| Respiratory | 0.083 |
| NR-Aromatase | 0.004 |
| Antiviral | No |
| Prediction | 0.887349 |