Chemoinformaics analysis of p-Coumaroyltyramine
| Molecular Weight | 283.327 | nRot | 5 |
| Heavy Atom Molecular Weight | 266.191 | nRig | 20 |
| Exact Molecular Weight | 283.121 | nRing | 2 |
| Solubility: LogS | -3.041 | nHRing | 0 |
| Solubility: LogP | 0.691 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | No. of Aromatic Rings | 2 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 38 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 2 |
| nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 17 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 17 | No. of Saturated Rings | 0 |
| No. of Nitrogen atom | 1 | No. of Arom Atom | 12 |
| No. of Oxygen atom | 3 | No. of Arom Bond | 12 |
| nHA | 3 | APOL | 43.2315 |
| nHD | 3 | BPOL | 18.4925 |
| QED | 0.314 |
| Synth | 3.736 |
| Natural Product Likeliness | 1.427 |
| NR-PPAR-gamma | 0.551 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Accepted |
| Pgp-inh | 0.008 |
| Pgp-sub | 0 |
| HIA | 0.328 |
| CACO-2 | -5.694 |
| MDCK | 0.0000123 |
| BBB | 0.101 |
| PPB | 0.875346 |
| VDSS | 0.549 |
| FU | 0.0649121 |
| CYP1A2-inh | 0.697 |
| CYP1A2-sub | 0.255 |
| CYP2c19-inh | 0.051 |
| CYP2c19-sub | 0.049 |
| CYP2c9-inh | 0.241 |
| CYP2c9-sub | 0.155 |
| CYP2d6-inh | 0.176 |
| CYP2d6-sub | 0.104 |
| CYP3a4-inh | 0.13 |
| CYP3a4-sub | 0.113 |
| CL | 0.929 |
| T12 | 0.626 |
| hERG | 0.014 |
| Ames | 0.924 |
| ROA | 0.107 |
| SkinSen | 0.691 |
| Carcinogencity | 0.092 |
| EI | 0.036 |
| Respiratory | 0.398 |
| NR-Aromatase | 0.32 |
| Antiviral | Yes |
| Prediction | 0.660445 |