Chemoinformaics analysis of 3,5-Dimethyl-1,2,4-trithiolane
| Molecular Weight | 152.309 | nRot | 0 |
| Heavy Atom Molecular Weight | 144.245 | nRig | 7 |
| Exact Molecular Weight | 151.979 | nRing | 1 |
| Solubility: LogS | -7.657 | nHRing | 1 |
| Solubility: LogP | 11.101 | 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 | 7 | No. of Aromatic Carbocycles | 0 |
| nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 8 | No. of Saturated Hetero Cycles | 1 |
| No. of Carbon atom | 4 | No. of Saturated Rings | 1 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 0 | No. of Arom Bond | 0 |
| nHA | 3 | APOL | 20.7143 |
| nHD | 0 | BPOL | 12.9457 |
| QED | 0.06 |
| Synth | 3.888 |
| Natural Product Likeliness | 1.534 |
| NR-PPAR-gamma | 0.388 |
| Lipinski | Rejected |
| Pfizer | Rejected |
| GSK | Rejected |
| Golden Triangle | Rejected |
| Pgp-inh | 0 |
| Pgp-sub | 0 |
| HIA | 0.008 |
| CACO-2 | -4.489 |
| MDCK | 0.0000154 |
| BBB | 0.005 |
| PPB | 1.08157 |
| VDSS | 3.436 |
| FU | 0.0039535 |
| CYP1A2-inh | 0.132 |
| CYP1A2-sub | 0.146 |
| CYP2c19-inh | 0.705 |
| CYP2c19-sub | 0.055 |
| CYP2c9-inh | 0.383 |
| CYP2c9-sub | 0.998 |
| CYP2d6-inh | 0.012 |
| CYP2d6-sub | 0.13 |
| CYP3a4-inh | 0.468 |
| CYP3a4-sub | 0.038 |
| CL | 4.494 |
| T12 | 0.011 |
| hERG | 0 |
| Ames | 0.771 |
| ROA | 0.135 |
| SkinSen | 0.968 |
| Carcinogencity | 0.493 |
| EI | 0.907 |
| Respiratory | 0.739 |
| NR-Aromatase | 0.891 |
| Antiviral | No |
| Prediction | 0.95977 |