Chemoinformaics analysis of Dehydrocrenatidine
| Molecular Weight | 254.289 | nRot | 3 |
| Heavy Atom Molecular Weight | 240.177 | nRig | 16 |
| Exact Molecular Weight | 254.106 | nRing | 3 |
| Solubility: LogS | -3.293 | nHRing | 2 |
| Solubility: LogP | 2.905 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | No. of Aromatic Rings | 3 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 33 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 1 |
| nHetero | 4 | No. of Aromatic Hetero Cycles | 2 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 15 | No. of Saturated Rings | 0 |
| No. of Nitrogen atom | 2 | No. of Arom Atom | 13 |
| No. of Oxygen atom | 2 | No. of Arom Bond | 15 |
| nHA | 3 | APOL | 38.1891 |
| nHD | 1 | BPOL | 19.2269 |
| QED | 0.779 |
| Synth | 2.748 |
| Natural Product Likeliness | 0.961 |
| NR-PPAR-gamma | 0.947 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Accepted |
| Pgp-inh | 0.067 |
| Pgp-sub | 0.011 |
| HIA | 0.012 |
| CACO-2 | -4.931 |
| MDCK | 0.0000153 |
| BBB | 0.728 |
| PPB | 0.885232 |
| VDSS | 1.06 |
| FU | 0.104541 |
| CYP1A2-inh | 0.993 |
| CYP1A2-sub | 0.964 |
| CYP2c19-inh | 0.732 |
| CYP2c19-sub | 0.772 |
| CYP2c9-inh | 0.845 |
| CYP2c9-sub | 0.921 |
| CYP2d6-inh | 0.814 |
| CYP2d6-sub | 0.902 |
| CYP3a4-inh | 0.678 |
| CYP3a4-sub | 0.796 |
| CL | 7.451 |
| T12 | 0.575 |
| hERG | 0.019 |
| Ames | 0.423 |
| ROA | 0.977 |
| SkinSen | 0.84 |
| Carcinogencity | 0.865 |
| EI | 0.938 |
| Respiratory | 0.983 |
| NR-Aromatase | 0.861 |
| Antiviral | Yes |
| Prediction | 0.681825 |