Chemoinformaics analysis of BETA-ZEACAROTENE
| Molecular Weight | 538.904 | nRot | 14 |
| Heavy Atom Molecular Weight | 480.44 | nRig | 16 |
| Exact Molecular Weight | 538.454 | nRing | 1 |
| Solubility: LogS | -7.758 | nHRing | 0 |
| Solubility: LogP | 11.59 | No. of Aliphatic Rings | 1 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
| Atoms Count | 98 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 40 | No. of Aromatic Carbocycles | 0 |
| nHetero | 0 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 58 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 40 | 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 | 105.474 |
| nHD | 0 | BPOL | 58.186 |
| QED | 0.152 |
| Synth | 3.789 |
| Natural Product Likeliness | 1.843 |
| NR-PPAR-gamma | 0.009 |
| Lipinski | Rejected |
| Pfizer | Rejected |
| GSK | Rejected |
| Golden Triangle | Rejected |
| Pgp-inh | 0.998 |
| Pgp-sub | 0.504 |
| HIA | 0.018 |
| CACO-2 | -5.667 |
| MDCK | 0.00000798 |
| BBB | 0.001 |
| PPB | 0.997174 |
| VDSS | 8.749 |
| FU | 0.0257864 |
| CYP1A2-inh | 0.181 |
| CYP1A2-sub | 0.475 |
| CYP2c19-inh | 0.065 |
| CYP2c19-sub | 0.985 |
| CYP2c9-inh | 0.026 |
| CYP2c9-sub | 0.865 |
| CYP2d6-inh | 0.612 |
| CYP2d6-sub | 0.972 |
| CYP3a4-inh | 0.111 |
| CYP3a4-sub | 0.895 |
| CL | 0.348 |
| T12 | 0.047 |
| hERG | 0.885 |
| Ames | 0.142 |
| ROA | 0.204 |
| SkinSen | 0.99 |
| Carcinogencity | 0.06 |
| EI | 0.125 |
| Respiratory | 0.303 |
| NR-Aromatase | 0.923 |
| Antiviral | No |
| Prediction | 0.587652 |