Chemoinformaics analysis of (-)-Dihydro-Clusin
| Molecular Weight | 404.459 | nRot | 10 |
| Heavy Atom Molecular Weight | 376.235 | nRig | 16 |
| Exact Molecular Weight | 404.184 | nRing | 3 |
| Solubility: LogS | -3.765 | nHRing | 1 |
| Solubility: LogP | 2.179 | No. of Aliphatic Rings | 1 |
| Acid Count | 0 | No. of Aromatic Rings | 2 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 57 | No. of Aliphatic Hetero Cycles | 1 |
| No. of Heavy Atom | 29 | No. of Aromatic Carbocycles | 2 |
| nHetero | 7 | 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 | 22 | No. of Saturated Rings | 0 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
| No. of Oxygen atom | 7 | No. of Arom Bond | 12 |
| nHA | 7 | APOL | 61.0242 |
| nHD | 2 | BPOL | 36.7698 |
| QED | 0.629 |
| Synth | 3.188 |
| Natural Product Likeliness | 0.688 |
| NR-PPAR-gamma | 0.001 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Rejected |
| Golden Triangle | Accepted |
| Pgp-inh | 0.952 |
| Pgp-sub | 0.008 |
| HIA | 0.002 |
| CACO-2 | -4.551 |
| MDCK | 0.0000287 |
| BBB | 0.045 |
| PPB | 0.918339 |
| VDSS | 0.926 |
| FU | 0.0559192 |
| CYP1A2-inh | 0.816 |
| CYP1A2-sub | 0.877 |
| CYP2c19-inh | 0.342 |
| CYP2c19-sub | 0.902 |
| CYP2c9-inh | 0.216 |
| CYP2c9-sub | 0.791 |
| CYP2d6-inh | 0.971 |
| CYP2d6-sub | 0.934 |
| CYP3a4-inh | 0.974 |
| CYP3a4-sub | 0.909 |
| CL | 9.94 |
| T12 | 0.669 |
| hERG | 0.179 |
| Ames | 0.023 |
| ROA | 0.002 |
| SkinSen | 0.716 |
| Carcinogencity | 0.877 |
| EI | 0.026 |
| Respiratory | 0.014 |
| NR-Aromatase | 0.419 |
| Antiviral | No |
| Prediction | 0.594664 |