Chemoinformaics analysis of 4-Dihydrophthalide
| Molecular Weight | 204.269 | nRot | 2 |
| Heavy Atom Molecular Weight | 188.141 | nRig | 12 |
| Exact Molecular Weight | 204.115 | nRing | 2 |
| Solubility: LogS | -4.173 | nHRing | 1 |
| Solubility: LogP | 3.772 | No. of Aliphatic Rings | 2 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
| Atoms Count | 31 | No. of Aliphatic Hetero Cycles | 1 |
| No. of Heavy Atom | 15 | No. of Aromatic Carbocycles | 0 |
| nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 1 |
| No. of Carbon atom | 13 | No. of Saturated Rings | 1 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
| nHA | 2 | APOL | 33.9827 |
| nHD | 0 | BPOL | 18.6553 |
| QED | 0.646 |
| Synth | 4.098 |
| Natural Product Likeliness | 2.186 |
| NR-PPAR-gamma | 0.005 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Accepted |
| Golden Triangle | Accepted |
| Pgp-inh | 0.96 |
| Pgp-sub | 0.001 |
| HIA | 0.004 |
| CACO-2 | -4.585 |
| MDCK | 0.0000158 |
| BBB | 0.836 |
| PPB | 0.910967 |
| VDSS | 0.573 |
| FU | 0.0847729 |
| CYP1A2-inh | 0.7 |
| CYP1A2-sub | 0.124 |
| CYP2c19-inh | 0.391 |
| CYP2c19-sub | 0.871 |
| CYP2c9-inh | 0.471 |
| CYP2c9-sub | 0.692 |
| CYP2d6-inh | 0.015 |
| CYP2d6-sub | 0.359 |
| CYP3a4-inh | 0.12 |
| CYP3a4-sub | 0.402 |
| CL | 6.907 |
| T12 | 0.346 |
| hERG | 0.014 |
| Ames | 0.5 |
| ROA | 0.563 |
| SkinSen | 0.955 |
| Carcinogencity | 0.774 |
| EI | 0.975 |
| Respiratory | 0.955 |
| NR-Aromatase | 0.011 |
| Antiviral | Yes |
| Prediction | 0.589626 |