Chemoinformaics analysis of Vallesiachotamine
| Molecular Weight | 366.461 | nRot | 1 |
| Heavy Atom Molecular Weight | 340.253 | nRig | 26 |
| Exact Molecular Weight | 366.194 | nRing | 7 |
| Solubility: LogS | -3.34 | nHRing | 5 |
| Solubility: LogP | 2.346 | No. of Aliphatic Rings | 6 |
| Acid Count | 0 | No. of Aromatic Rings | 1 |
| Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
| Atoms Count | 53 | No. of Aliphatic Hetero Cycles | 5 |
| No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 1 |
| nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 5 | No. Saturated Carbocycles | 1 |
| No. of Hydrogen atom | 26 | No. of Saturated Hetero Cycles | 4 |
| No. of Carbon atom | 22 | No. of Saturated Rings | 5 |
| No. of Nitrogen atom | 2 | No. of Arom Atom | 6 |
| No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
| nHA | 5 | APOL | 58.6826 |
| nHD | 1 | BPOL | 32.1074 |
| QED | 0.606 |
| Synth | 6.619 |
| Natural Product Likeliness | 2.284 |
| NR-PPAR-gamma | 0.004 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Accepted |
| Pgp-inh | 0.967 |
| Pgp-sub | 0.948 |
| HIA | 0.353 |
| CACO-2 | -4.836 |
| MDCK | 0.0000568 |
| BBB | 0.913 |
| PPB | 0.682546 |
| VDSS | 2.948 |
| FU | 0.33682 |
| CYP1A2-inh | 0.047 |
| CYP1A2-sub | 0.25 |
| CYP2c19-inh | 0.098 |
| CYP2c19-sub | 0.945 |
| CYP2c9-inh | 0.076 |
| CYP2c9-sub | 0.291 |
| CYP2d6-inh | 0.589 |
| CYP2d6-sub | 0.883 |
| CYP3a4-inh | 0.461 |
| CYP3a4-sub | 0.837 |
| CL | 10.596 |
| T12 | 0.07 |
| hERG | 0.003 |
| Ames | 0.026 |
| ROA | 0.985 |
| SkinSen | 0.096 |
| Carcinogencity | 0.923 |
| EI | 0.011 |
| Respiratory | 0.976 |
| NR-Aromatase | 0.007 |
| Antiviral | No |
| Prediction | 0.596289 |