Chemoinformaics analysis of 5-p-coumaroylquinic-acid
| Molecular Weight | 985.127 | nRot | 11 |
| Heavy Atom Molecular Weight | 908.519 | nRig | 50 |
| Exact Molecular Weight | 984.493 | nRing | 9 |
| Solubility: LogS | -2.762 | nHRing | 5 |
| Solubility: LogP | 1.052 | No. of Aliphatic Rings | 9 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
| Atoms Count | 145 | No. of Aliphatic Hetero Cycles | 5 |
| No. of Heavy Atom | 69 | No. of Aromatic Carbocycles | 0 |
| nHetero | 20 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 4 |
| No. of Hydrogen atom | 76 | No. of Saturated Hetero Cycles | 4 |
| No. of Carbon atom | 49 | No. of Saturated Rings | 8 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 20 | No. of Arom Bond | 0 |
| nHA | 20 | APOL | 148.546 |
| nHD | 8 | BPOL | 95.3397 |
| QED | 0.112 |
| Synth | 6.709 |
| Natural Product Likeliness | 2.023 |
| NR-PPAR-gamma | 0.746 |
| Lipinski | Rejected |
| Pfizer | Accepted |
| GSK | Rejected |
| Golden Triangle | Rejected |
| Pgp-inh | 0.029 |
| Pgp-sub | 0.207 |
| HIA | 0.856 |
| CACO-2 | -6.126 |
| MDCK | 0.000323428 |
| BBB | 0.061 |
| PPB | 0.742974 |
| VDSS | -0.039 |
| FU | 0.106178 |
| CYP1A2-inh | 0 |
| CYP1A2-sub | 0.086 |
| CYP2c19-inh | 0.001 |
| CYP2c19-sub | 0.148 |
| CYP2c9-inh | 0 |
| CYP2c9-sub | 0.045 |
| CYP2d6-inh | 0 |
| CYP2d6-sub | 0.117 |
| CYP3a4-inh | 0.026 |
| CYP3a4-sub | 0.261 |
| CL | 4.681 |
| T12 | 0.02 |
| hERG | 0.151 |
| Ames | 0.082 |
| ROA | 0.999 |
| SkinSen | 0.007 |
| Carcinogencity | 0.104 |
| EI | 0.002 |
| Respiratory | 0.053 |
| NR-Aromatase | 0.86 |
| Antiviral | Yes |
| Prediction | 0.830456 |