Chemoinformaics analysis of Nigakihemiacetal A
| Molecular Weight | 410.507 | nRot | 2 |
| Heavy Atom Molecular Weight | 376.235 | nRig | 21 |
| Exact Molecular Weight | 410.23 | nRing | 4 |
| Solubility: LogS | -3.205 | nHRing | 1 |
| Solubility: LogP | 1.566 | No. of Aliphatic Rings | 4 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 3 |
| Atoms Count | 63 | No. of Aliphatic Hetero Cycles | 1 |
| No. of Heavy Atom | 29 | No. of Aromatic Carbocycles | 0 |
| nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 2 |
| No. of Hydrogen atom | 34 | No. of Saturated Hetero Cycles | 1 |
| No. of Carbon atom | 22 | No. of Saturated Rings | 3 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 7 | No. of Arom Bond | 0 |
| nHA | 7 | APOL | 65.025 |
| nHD | 3 | BPOL | 40.185 |
| QED | 0.629 |
| Synth | 5.423 |
| Natural Product Likeliness | 3.574 |
| NR-PPAR-gamma | 0.012 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Rejected |
| Golden Triangle | Accepted |
| Pgp-inh | 0.995 |
| Pgp-sub | 0.945 |
| HIA | 0.034 |
| CACO-2 | -4.795 |
| MDCK | 0.00005 |
| BBB | 0.358 |
| PPB | 0.437093 |
| VDSS | 1.244 |
| FU | 0.378358 |
| CYP1A2-inh | 0.009 |
| CYP1A2-sub | 0.947 |
| CYP2c19-inh | 0.01 |
| CYP2c19-sub | 0.838 |
| CYP2c9-inh | 0.003 |
| CYP2c9-sub | 0.024 |
| CYP2d6-inh | 0.003 |
| CYP2d6-sub | 0.129 |
| CYP3a4-inh | 0.286 |
| CYP3a4-sub | 0.633 |
| CL | 5.8 |
| T12 | 0.542 |
| hERG | 0.111 |
| Ames | 0.023 |
| ROA | 0.533 |
| SkinSen | 0.52 |
| Carcinogencity | 0.016 |
| EI | 0.038 |
| Respiratory | 0.97 |
| NR-Aromatase | 0.112 |
| Antiviral | Yes |
| Prediction | 0.652595 |