Chemoinformaics analysis of NEPETALIC-ANHYDRIDE
| Molecular Weight | 364.482 | nRot | 2 |
| Heavy Atom Molecular Weight | 332.226 | nRig | 22 |
| Exact Molecular Weight | 364.225 | nRing | 4 |
| Solubility: LogS | -3.913 | nHRing | 2 |
| Solubility: LogP | 3.796 | No. of Aliphatic Rings | 4 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
| Atoms Count | 58 | No. of Aliphatic Hetero Cycles | 2 |
| No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 0 |
| nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 2 |
| No. of Hydrogen atom | 32 | No. of Saturated Hetero Cycles | 2 |
| No. of Carbon atom | 21 | No. of Saturated Rings | 4 |
| No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 5 | No. of Arom Bond | 0 |
| nHA | 5 | APOL | 60.4174 |
| nHD | 0 | BPOL | 39.0466 |
| QED | 0.698 |
| Synth | 5.135 |
| Natural Product Likeliness | 1.645 |
| NR-PPAR-gamma | 0.001 |
| Lipinski | Accepted |
| Pfizer | Rejected |
| GSK | Accepted |
| Golden Triangle | Accepted |
| Pgp-inh | 0.978 |
| Pgp-sub | 0 |
| HIA | 0.003 |
| CACO-2 | -4.852 |
| MDCK | 0.0000644 |
| BBB | 0.718 |
| PPB | 0.920813 |
| VDSS | 1.916 |
| FU | 0.0614974 |
| CYP1A2-inh | 0.037 |
| CYP1A2-sub | 0.595 |
| CYP2c19-inh | 0.034 |
| CYP2c19-sub | 0.944 |
| CYP2c9-inh | 0.064 |
| CYP2c9-sub | 0.067 |
| CYP2d6-inh | 0.003 |
| CYP2d6-sub | 0.305 |
| CYP3a4-inh | 0.279 |
| CYP3a4-sub | 0.668 |
| CL | 16.25 |
| T12 | 0.03 |
| hERG | 0.012 |
| Ames | 0.03 |
| ROA | 0.709 |
| SkinSen | 0.051 |
| Carcinogencity | 0.36 |
| EI | 0.016 |
| Respiratory | 0.331 |
| NR-Aromatase | 0.003 |
| Antiviral | Yes |
| Prediction | 0.575151 |