Chemoinformaics analysis of N-Methylmescaline
| Molecular Weight | 225.288 | nRot | 6 |
| Heavy Atom Molecular Weight | 206.136 | nRig | 6 |
| Exact Molecular Weight | 225.136 | nRing | 1 |
| Solubility: LogS | -1.158 | nHRing | 0 |
| Solubility: LogP | 1.078 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | No. of Aromatic Rings | 1 |
| Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 35 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 1 |
| nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 19 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 12 | No. of Saturated Rings | 0 |
| No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
| No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
| nHA | 4 | APOL | 36.2151 |
| nHD | 1 | BPOL | 24.8389 |
| QED | 0.796 |
| Synth | 1.829 |
| Natural Product Likeliness | 0.44 |
| NR-PPAR-gamma | 0.005 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Accepted |
| Pgp-inh | 0.001 |
| Pgp-sub | 0.95 |
| HIA | 0.004 |
| CACO-2 | -4.535 |
| MDCK | 0.0000116 |
| BBB | 0.862 |
| PPB | 0.215874 |
| VDSS | 2.332 |
| FU | 0.476306 |
| CYP1A2-inh | 0.491 |
| CYP1A2-sub | 0.726 |
| CYP2c19-inh | 0.028 |
| CYP2c19-sub | 0.92 |
| CYP2c9-inh | 0.005 |
| CYP2c9-sub | 0.571 |
| CYP2d6-inh | 0.074 |
| CYP2d6-sub | 0.917 |
| CYP3a4-inh | 0.042 |
| CYP3a4-sub | 0.768 |
| CL | 7.105 |
| T12 | 0.825 |
| hERG | 0.082 |
| Ames | 0.016 |
| ROA | 0.28 |
| SkinSen | 0.927 |
| Carcinogencity | 0.043 |
| EI | 0.025 |
| Respiratory | 0.948 |
| NR-Aromatase | 0.027 |
| Antiviral | Yes |
| Prediction | 0.604487 |