Chemoinformaics analysis of 23-Acetylalismol B;23-O-Acetylalisol B;Alisol B monoacetate;Alisol B acetate
| Molecular Weight | 514.747 | nRot | 5 |
| Heavy Atom Molecular Weight | 464.347 | nRig | 20 |
| Exact Molecular Weight | 514.366 | nRing | 5 |
| Solubility: LogS | -2.565 | nHRing | 1 |
| Solubility: LogP | 1.678 | No. of Aliphatic Rings | 5 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
| Atoms Count | 87 | No. of Aliphatic Hetero Cycles | 1 |
| No. of Heavy Atom | 37 | No. of Aromatic Carbocycles | 0 |
| nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 3 |
| No. of Hydrogen atom | 50 | No. of Saturated Hetero Cycles | 1 |
| No. of Carbon atom | 32 | No. of Saturated Rings | 4 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 5 | No. of Arom Bond | 0 |
| nHA | 5 | APOL | 90.7896 |
| nHD | 1 | BPOL | 55.3684 |
| QED | 0.292 |
| Synth | 3.726 |
| Natural Product Likeliness | 1.694 |
| NR-PPAR-gamma | 0.616 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Rejected |
| Golden Triangle | Accepted |
| Pgp-inh | 0.001 |
| Pgp-sub | 0.019 |
| HIA | 0.917 |
| CACO-2 | -5.872 |
| MDCK | 0.00000709 |
| BBB | 0.414 |
| PPB | 0.937705 |
| VDSS | 0.644 |
| FU | 0.103186 |
| CYP1A2-inh | 0.053 |
| CYP1A2-sub | 0.038 |
| CYP2c19-inh | 0.13 |
| CYP2c19-sub | 0.088 |
| CYP2c9-inh | 0.101 |
| CYP2c9-sub | 0.85 |
| CYP2d6-inh | 0.04 |
| CYP2d6-sub | 0.417 |
| CYP3a4-inh | 0.107 |
| CYP3a4-sub | 0.187 |
| CL | 3.652 |
| T12 | 0.734 |
| hERG | 0.134 |
| Ames | 0.209 |
| ROA | 0.122 |
| SkinSen | 0.922 |
| Carcinogencity | 0.1 |
| EI | 0.009 |
| Respiratory | 0.023 |
| NR-Aromatase | 0.885 |
| Antiviral | Yes |
| Prediction | 0.610993 |