Chemoinformaics analysis of Hydrogen Cyanide
| Molecular Weight | 27.026 | nRot | 0 |
| Heavy Atom Molecular Weight | 26.018 | nRig | 1 |
| Exact Molecular Weight | 27.0109 | nRing | 0 |
| Solubility: LogS | 0.867 | nHRing | 0 |
| Solubility: LogP | -0.334 | No. of Aliphatic Rings | 0 |
| Acid Count | 0 | No. of Aromatic Rings | 0 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 3 | No. of Aliphatic Hetero Cycles | 0 |
| No. of Heavy Atom | 2 | No. of Aromatic Carbocycles | 0 |
| nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 1 | No. of Saturated Hetero Cycles | 0 |
| No. of Carbon atom | 1 | No. of Saturated Rings | 0 |
| No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
| No. of Oxygen atom | 0 | No. of Arom Bond | 0 |
| nHA | 1 | APOL | 3.43679 |
| nHD | 0 | BPOL | 1.57321 |
| QED | 0.37 |
| Synth | 4.026 |
| Natural Product Likeliness | -0.645 |
| NR-PPAR-gamma | 0.003 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Rejected |
| Pgp-inh | 0 |
| Pgp-sub | 0.006 |
| HIA | 0.005 |
| CACO-2 | -4.406 |
| MDCK | 0.0000684 |
| BBB | 0.942 |
| PPB | 0.142825 |
| VDSS | 0.871 |
| FU | 0.838564 |
| CYP1A2-inh | 0.425 |
| CYP1A2-sub | 0.854 |
| CYP2c19-inh | 0.035 |
| CYP2c19-sub | 0.094 |
| CYP2c9-inh | 0.005 |
| CYP2c9-sub | 0.583 |
| CYP2d6-inh | 0.006 |
| CYP2d6-sub | 0.164 |
| CYP3a4-inh | 0.005 |
| CYP3a4-sub | 0.197 |
| CL | 6.791 |
| T12 | 0.873 |
| hERG | 0.013 |
| Ames | 0.166 |
| ROA | 0.98 |
| SkinSen | 0.622 |
| Carcinogencity | 0.85 |
| EI | 0.997 |
| Respiratory | 0.982 |
| NR-Aromatase | 0.006 |
| Antiviral | No |
| Prediction | 0.922667 |