Chemoinformaics analysis of (E)-Cycloarta-23-ene-3beta-ol
| Molecular Weight | 426.729 | nRot | 4 |
| Heavy Atom Molecular Weight | 376.329 | nRig | 23 |
| Exact Molecular Weight | 426.386 | nRing | 5 |
| Solubility: LogS | -6.442 | nHRing | 0 |
| Solubility: LogP | 7.101 | No. of Aliphatic Rings | 5 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 5 |
| Atoms Count | 81 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 31 | No. of Aromatic Carbocycles | 0 |
| nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 5 |
| No. of Hydrogen atom | 50 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 30 | No. of Saturated Rings | 5 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
| nHA | 1 | APOL | 84.2417 |
| nHD | 1 | BPOL | 50.1604 |
| QED | 0.451 |
| Synth | 5.516 |
| Natural Product Likeliness | 3.283 |
| NR-PPAR-gamma | 0.031 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Rejected |
| Golden Triangle | Rejected |
| Pgp-inh | 0.003 |
| Pgp-sub | 0 |
| HIA | 0.019 |
| CACO-2 | -4.907 |
| MDCK | 0.0000103 |
| BBB | 0.36 |
| PPB | 1.00478 |
| VDSS | 1.495 |
| FU | 0.0191855 |
| CYP1A2-inh | 0.019 |
| CYP1A2-sub | 0.388 |
| CYP2c19-inh | 0.066 |
| CYP2c19-sub | 0.957 |
| CYP2c9-inh | 0.099 |
| CYP2c9-sub | 0.53 |
| CYP2d6-inh | 0.086 |
| CYP2d6-sub | 0.639 |
| CYP3a4-inh | 0.276 |
| CYP3a4-sub | 0.548 |
| CL | 16.726 |
| T12 | 0.01 |
| hERG | 0.012 |
| Ames | 0.022 |
| ROA | 0.084 |
| SkinSen | 0.582 |
| Carcinogencity | 0.012 |
| EI | 0.218 |
| Respiratory | 0.851 |
| NR-Aromatase | 0.376 |
| Antiviral | No |
| Prediction | 0.716074 |