Chemoinformaics analysis of (5R)-5-ETHENYL-1,3-OXAZOLIDINE-2-THIONE
| Molecular Weight | 129.184 | nRot | 1 |
| Heavy Atom Molecular Weight | 122.128 | nRig | 12 |
| Exact Molecular Weight | 129.025 | nRing | 1 |
| Solubility: LogS | -3.814 | nHRing | 1 |
| Solubility: LogP | 4.374 | No. of Aliphatic Rings | 1 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 15 | No. of Aliphatic Hetero Cycles | 1 |
| No. of Heavy Atom | 8 | No. of Aromatic Carbocycles | 0 |
| nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 7 | No. of Saturated Hetero Cycles | 1 |
| No. of Carbon atom | 5 | No. of Saturated Rings | 1 |
| No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
| nHA | 2 | APOL | 17.8196 |
| nHD | 1 | BPOL | 10.5584 |
| QED | 0.612 |
| Synth | 4.277 |
| Natural Product Likeliness | 3.557 |
| NR-PPAR-gamma | 0.007 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Rejected |
| Golden Triangle | Accepted |
| Pgp-inh | 0.006 |
| Pgp-sub | 0.001 |
| HIA | 0.004 |
| CACO-2 | -4.392 |
| MDCK | 0.0000203 |
| BBB | 0.953 |
| PPB | 0.881678 |
| VDSS | 1.835 |
| FU | 0.110131 |
| CYP1A2-inh | 0.138 |
| CYP1A2-sub | 0.276 |
| CYP2c19-inh | 0.094 |
| CYP2c19-sub | 0.473 |
| CYP2c9-inh | 0.039 |
| CYP2c9-sub | 0.887 |
| CYP2d6-inh | 0.021 |
| CYP2d6-sub | 0.696 |
| CYP3a4-inh | 0.063 |
| CYP3a4-sub | 0.229 |
| CL | 8.432 |
| T12 | 0.194 |
| hERG | 0.006 |
| Ames | 0.008 |
| ROA | 0.021 |
| SkinSen | 0.168 |
| Carcinogencity | 0.919 |
| EI | 0.741 |
| Respiratory | 0.029 |
| NR-Aromatase | 0.022 |
| Antiviral | No |
| Prediction | 0.967927 |