Chemoinformaics analysis of Decahydro-4,8,8-trimethyl-1,4-methanoazulene-9-carbaldehyde
| Molecular Weight | 220.356 | nRot | 1 |
| Heavy Atom Molecular Weight | 196.164 | nRig | 29 |
| Exact Molecular Weight | 220.183 | nRing | 3 |
| Solubility: LogS | -2.732 | nHRing | 0 |
| Solubility: LogP | -0.921 | No. of Aliphatic Rings | 3 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 3 |
| Atoms Count | 40 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 0 |
| nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 4 | No. Saturated Carbocycles | 3 |
| No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 15 | No. of Saturated Rings | 3 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
| nHA | 1 | APOL | 41.855 |
| nHD | 0 | BPOL | 24.945 |
| QED | 0.135 |
| Synth | 4.85 |
| Natural Product Likeliness | 1.488 |
| NR-PPAR-gamma | 0.574 |
| Lipinski | Rejected |
| Pfizer | Accepted |
| GSK | Rejected |
| Golden Triangle | Rejected |
| Pgp-inh | 0.001 |
| Pgp-sub | 0.958 |
| HIA | 0.935 |
| CACO-2 | -6.445 |
| MDCK | 0.000107182 |
| BBB | 0.429 |
| PPB | 0.738547 |
| VDSS | 0.587 |
| FU | 0.285359 |
| CYP1A2-inh | 0.017 |
| CYP1A2-sub | 0.014 |
| CYP2c19-inh | 0.003 |
| CYP2c19-sub | 0.063 |
| CYP2c9-inh | 0 |
| CYP2c9-sub | 0.254 |
| CYP2d6-inh | 0.003 |
| CYP2d6-sub | 0.168 |
| CYP3a4-inh | 0.004 |
| CYP3a4-sub | 0.002 |
| CL | 1.436 |
| T12 | 0.43 |
| hERG | 0.013 |
| Ames | 0.359 |
| ROA | 0.086 |
| SkinSen | 0.011 |
| Carcinogencity | 0.358 |
| EI | 0.005 |
| Respiratory | 0.008 |
| NR-Aromatase | 0.941 |
| Antiviral | Yes |
| Prediction | 0.890312 |