Chemoinformaics analysis of Isoneobavachalcone
| Molecular Weight | 298.294 | nRot | 5 |
| Heavy Atom Molecular Weight | 284.182 | nRig | 15 |
| Exact Molecular Weight | 298.084 | nRing | 2 |
| Solubility: LogS | -3.715 | nHRing | 0 |
| Solubility: LogP | 2.9 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | No. of Aromatic Rings | 2 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 36 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 2 |
| nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 17 | No. of Saturated Rings | 0 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
| No. of Oxygen atom | 5 | No. of Arom Bond | 12 |
| nHA | 5 | APOL | 41.7351 |
| nHD | 2 | BPOL | 17.5169 |
| QED | 0.504 |
| Synth | 2.356 |
| Natural Product Likeliness | 0.777 |
| NR-PPAR-gamma | 0.651 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Accepted |
| Pgp-inh | 0.003 |
| Pgp-sub | 0.01 |
| HIA | 0.01 |
| CACO-2 | -4.75 |
| MDCK | 0.0000122 |
| BBB | 0.225 |
| PPB | 0.988509 |
| VDSS | 0.447 |
| FU | 0.00799589 |
| CYP1A2-inh | 0.918 |
| CYP1A2-sub | 0.183 |
| CYP2c19-inh | 0.413 |
| CYP2c19-sub | 0.062 |
| CYP2c9-inh | 0.605 |
| CYP2c9-sub | 0.888 |
| CYP2d6-inh | 0.165 |
| CYP2d6-sub | 0.757 |
| CYP3a4-inh | 0.5 |
| CYP3a4-sub | 0.251 |
| CL | 8.994 |
| T12 | 0.893 |
| hERG | 0.057 |
| Ames | 0.933 |
| ROA | 0.43 |
| SkinSen | 0.879 |
| Carcinogencity | 0.777 |
| EI | 0.956 |
| Respiratory | 0.771 |
| NR-Aromatase | 0.77 |
| Antiviral | Yes |
| Prediction | 0.839888 |