Chemoinformaics analysis of ISOGEMICHALCONE C
| Molecular Weight | 532.545 | nRot | 10 |
| Heavy Atom Molecular Weight | 504.321 | nRig | 23 |
| Exact Molecular Weight | 532.173 | nRing | 3 |
| Solubility: LogS | -3.432 | nHRing | 0 |
| Solubility: LogP | 4.998 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | No. of Aromatic Rings | 3 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 67 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 39 | No. of Aromatic Carbocycles | 3 |
| nHetero | 9 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 28 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 30 | No. of Saturated Rings | 0 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 18 |
| No. of Oxygen atom | 9 | No. of Arom Bond | 18 |
| nHA | 9 | APOL | 75.9882 |
| nHD | 5 | BPOL | 33.2978 |
| QED | 0.107 |
| Synth | 3.01 |
| Natural Product Likeliness | 1.163 |
| NR-PPAR-gamma | 0.982 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Rejected |
| Golden Triangle | Rejected |
| Pgp-inh | 0.017 |
| Pgp-sub | 0.014 |
| HIA | 0.023 |
| CACO-2 | -5.333 |
| MDCK | 0.0000132 |
| BBB | 0.004 |
| PPB | 1.01821 |
| VDSS | 0.376 |
| FU | 0.00852232 |
| CYP1A2-inh | 0.803 |
| CYP1A2-sub | 0.192 |
| CYP2c19-inh | 0.858 |
| CYP2c19-sub | 0.051 |
| CYP2c9-inh | 0.904 |
| CYP2c9-sub | 0.932 |
| CYP2d6-inh | 0.782 |
| CYP2d6-sub | 0.849 |
| CYP3a4-inh | 0.501 |
| CYP3a4-sub | 0.197 |
| CL | 11.553 |
| T12 | 0.945 |
| hERG | 0.089 |
| Ames | 0.713 |
| ROA | 0.419 |
| SkinSen | 0.967 |
| Carcinogencity | 0.619 |
| EI | 0.891 |
| Respiratory | 0.266 |
| NR-Aromatase | 0.863 |
| Antiviral | Yes |
| Prediction | 0.743655 |