Chemoinformaics analysis of PLATYCONIC-ACID-A
| Molecular Weight | 206.241 | nRot | 4 |
| Heavy Atom Molecular Weight | 192.129 | nRig | 8 |
| Exact Molecular Weight | 206.094 | nRing | 1 |
| Solubility: LogS | -3.188 | nHRing | 0 |
| Solubility: LogP | 3.085 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | No. of Aromatic Rings | 1 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 29 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 15 | No. of Aromatic Carbocycles | 1 |
| nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 12 | No. of Saturated Rings | 0 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
| No. of Oxygen atom | 3 | No. of Arom Bond | 6 |
| nHA | 3 | APOL | 31.7811 |
| nHD | 0 | BPOL | 18.3849 |
| QED | 0.56 |
| Synth | 1.636 |
| Natural Product Likeliness | 0.061 |
| NR-PPAR-gamma | 0.023 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Accepted |
| Golden Triangle | Accepted |
| Pgp-inh | 0.762 |
| Pgp-sub | 0.001 |
| HIA | 0.005 |
| CACO-2 | -4.471 |
| MDCK | 0.000029 |
| BBB | 0.902 |
| PPB | 0.944175 |
| VDSS | 1.308 |
| FU | 0.0659718 |
| CYP1A2-inh | 0.974 |
| CYP1A2-sub | 0.931 |
| CYP2c19-inh | 0.871 |
| CYP2c19-sub | 0.639 |
| CYP2c9-inh | 0.768 |
| CYP2c9-sub | 0.888 |
| CYP2d6-inh | 0.24 |
| CYP2d6-sub | 0.883 |
| CYP3a4-inh | 0.257 |
| CYP3a4-sub | 0.517 |
| CL | 10.561 |
| T12 | 0.696 |
| hERG | 0.301 |
| Ames | 0.343 |
| ROA | 0.213 |
| SkinSen | 0.953 |
| Carcinogencity | 0.581 |
| EI | 0.82 |
| Respiratory | 0.583 |
| NR-Aromatase | 0.036 |
| Antiviral | No |
| Prediction | 0.646248 |