Chemoinformaics analysis of Acetyllithosenine
| Molecular Weight | 457.52 | nRot | 9 |
| Heavy Atom Molecular Weight | 422.24 | nRig | 12 |
| Exact Molecular Weight | 457.231 | nRing | 2 |
| Solubility: LogS | -1.618 | nHRing | 2 |
| Solubility: LogP | 0.677 | No. of Aliphatic Rings | 2 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 67 | No. of Aliphatic Hetero Cycles | 2 |
| No. of Heavy Atom | 32 | No. of Aromatic Carbocycles | 0 |
| nHetero | 10 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 35 | No. of Saturated Hetero Cycles | 1 |
| No. of Carbon atom | 22 | No. of Saturated Rings | 1 |
| No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 9 | No. of Arom Bond | 0 |
| nHA | 10 | APOL | 68.3958 |
| nHD | 3 | BPOL | 44.6342 |
| QED | 0.247 |
| Synth | 4.617 |
| Natural Product Likeliness | 1.815 |
| NR-PPAR-gamma | 0.012 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Rejected |
| Golden Triangle | Accepted |
| Pgp-inh | 0.016 |
| Pgp-sub | 0.006 |
| HIA | 0.029 |
| CACO-2 | -5.054 |
| MDCK | 0.000082 |
| BBB | 0.105 |
| PPB | 0.262315 |
| VDSS | 0.534 |
| FU | 0.660784 |
| CYP1A2-inh | 0.016 |
| CYP1A2-sub | 0.036 |
| CYP2c19-inh | 0.02 |
| CYP2c19-sub | 0.081 |
| CYP2c9-inh | 0.008 |
| CYP2c9-sub | 0.078 |
| CYP2d6-inh | 0.131 |
| CYP2d6-sub | 0.113 |
| CYP3a4-inh | 0.055 |
| CYP3a4-sub | 0.278 |
| CL | 2.711 |
| T12 | 0.804 |
| hERG | 0.006 |
| Ames | 0.565 |
| ROA | 0.015 |
| SkinSen | 0.057 |
| Carcinogencity | 0.969 |
| EI | 0.022 |
| Respiratory | 0.274 |
| NR-Aromatase | 0.024 |
| Antiviral | Yes |
| Prediction | 0.749304 |