Chemoinformaics analysis of Terephthalic acid
| Molecular Weight | 166.132 | nRot | 2 |
| Heavy Atom Molecular Weight | 160.084 | nRig | 8 |
| Exact Molecular Weight | 166.027 | nRing | 1 |
| Solubility: LogS | -2.725 | nHRing | 0 |
| Solubility: LogP | 1.89 | No. of Aliphatic Rings | 0 |
| Acid Count | 2 | No. of Aromatic Rings | 1 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 18 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 1 |
| nHetero | 4 | 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 | 8 | No. of Saturated Rings | 0 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
| No. of Oxygen atom | 4 | No. of Arom Bond | 6 |
| nHA | 2 | APOL | 20.5688 |
| nHD | 2 | BPOL | 7.75524 |
| QED | 0.689 |
| Synth | 1.297 |
| Natural Product Likeliness | -0.042 |
| NR-PPAR-gamma | 0.006 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Rejected |
| Pgp-inh | 0 |
| Pgp-sub | 0.001 |
| HIA | 0.046 |
| CACO-2 | -5.694 |
| MDCK | 0.0000139 |
| BBB | 0.367 |
| PPB | 0.434754 |
| VDSS | 0.217 |
| FU | 0.467783 |
| CYP1A2-inh | 0.024 |
| CYP1A2-sub | 0.038 |
| CYP2c19-inh | 0.036 |
| CYP2c19-sub | 0.032 |
| CYP2c9-inh | 0.018 |
| CYP2c9-sub | 0.047 |
| CYP2d6-inh | 0.028 |
| CYP2d6-sub | 0.036 |
| CYP3a4-inh | 0.018 |
| CYP3a4-sub | 0.015 |
| CL | 1.169 |
| T12 | 0.934 |
| hERG | 0.065 |
| Ames | 0.018 |
| ROA | 0.198 |
| SkinSen | 0.228 |
| Carcinogencity | 0.013 |
| EI | 0.992 |
| Respiratory | 0.1 |
| NR-Aromatase | 0.003 |
| Antiviral | No |
| Prediction | 0.821744 |