Chemoinformaics analysis of 2,4-Imidazolidinedione, 1-[[(5-nitro-2- furanyl)methylene]amino]- (CAS) Upiol
| Molecular Weight | 238.159 | nRot | 3 |
| Heavy Atom Molecular Weight | 232.111 | nRig | 13 |
| Exact Molecular Weight | 238.034 | nRing | 2 |
| Solubility: LogS | -2.083 | nHRing | 2 |
| Solubility: LogP | 0.179 | No. of Aliphatic Rings | 1 |
| Acid Count | 0 | No. of Aromatic Rings | 1 |
| Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
| Atoms Count | 23 | No. of Aliphatic Hetero Cycles | 1 |
| No. of Heavy Atom | 17 | No. of Aromatic Carbocycles | 0 |
| nHetero | 9 | No. of Aromatic Hetero Cycles | 1 |
| nBridge Head | 0 | No. Saturated Carbocycles | 0 |
| No. of Hydrogen atom | 6 | No. of Saturated Hetero Cycles | 1 |
| No. of Carbon atom | 8 | No. of Saturated Rings | 1 |
| No. of Nitrogen atom | 4 | No. of Arom Atom | 5 |
| No. of Oxygen atom | 5 | No. of Arom Bond | 5 |
| nHA | 6 | APOL | 25.7708 |
| nHD | 1 | BPOL | 12.9372 |
| QED | 0.45 |
| Synth | 3.176 |
| Natural Product Likeliness | -1.356 |
| NR-PPAR-gamma | 0.001 |
| Lipinski | Accepted |
| Pfizer | Accepted |
| GSK | Accepted |
| Golden Triangle | Accepted |
| Pgp-inh | 0 |
| Pgp-sub | 0.005 |
| HIA | 0.028 |
| CACO-2 | -4.819 |
| MDCK | 0.0000343 |
| BBB | 0.073 |
| PPB | 0.611761 |
| VDSS | 0.685 |
| FU | 0.533364 |
| CYP1A2-inh | 0.242 |
| CYP1A2-sub | 0.957 |
| CYP2c19-inh | 0.082 |
| CYP2c19-sub | 0.046 |
| CYP2c9-inh | 0.019 |
| CYP2c9-sub | 0.842 |
| CYP2d6-inh | 0.011 |
| CYP2d6-sub | 0.168 |
| CYP3a4-inh | 0.009 |
| CYP3a4-sub | 0.135 |
| CL | 7.511 |
| T12 | 0.906 |
| hERG | 0.05 |
| Ames | 0.999 |
| ROA | 0.031 |
| SkinSen | 0.05 |
| Carcinogencity | 0.993 |
| EI | 0.025 |
| Respiratory | 0.77 |
| NR-Aromatase | 0.006 |
| Antiviral | No |
| Prediction | 0.71295 |