Chemoinformaics analysis of Demethylcoclaurine
| Molecular Weight | 271.316 | nRot | 2 |
| Heavy Atom Molecular Weight | 254.18 | nRig | 17 |
| Exact Molecular Weight | 271.121 | nRing | 3 |
| Solubility: LogS | -2.81 | nHRing | 1 |
| Solubility: LogP | 1.173 | No. of Aliphatic Rings | 1 |
| Acid Count | 0 | No. of Aromatic Rings | 2 |
| Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 37 | No. of Aliphatic Hetero Cycles | 1 |
| No. of Heavy Atom | 20 | 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 | 16 | 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 | 4 | APOL | 41.5615 |
| nHD | 4 | BPOL | 17.6245 |
| QED | 0.632 |
| Synth | 2.818 |
| Natural Product Likeliness | 1.38 |
| NR-PPAR-gamma | 0.01 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Accepted |
| Pgp-inh | 0.027 |
| Pgp-sub | 0.014 |
| HIA | 0.296 |
| CACO-2 | -5.221 |
| MDCK | 0.0000081 |
| BBB | 0.036 |
| PPB | 0.513555 |
| VDSS | 1.665 |
| FU | 0.473436 |
| CYP1A2-inh | 0.155 |
| CYP1A2-sub | 0.869 |
| CYP2c19-inh | 0.139 |
| CYP2c19-sub | 0.065 |
| CYP2c9-inh | 0.028 |
| CYP2c9-sub | 0.549 |
| CYP2d6-inh | 0.571 |
| CYP2d6-sub | 0.906 |
| CYP3a4-inh | 0.016 |
| CYP3a4-sub | 0.359 |
| CL | 18.253 |
| T12 | 0.888 |
| hERG | 0.523 |
| Ames | 0.686 |
| ROA | 0.693 |
| SkinSen | 0.95 |
| Carcinogencity | 0.076 |
| EI | 0.012 |
| Respiratory | 0.245 |
| NR-Aromatase | 0.414 |
| Antiviral | No |
| Prediction | 0.63079 |