Chemoinformaics analysis of Inosine
Molecular Weight | 268.229 | nRot | 2 |
Heavy Atom Molecular Weight | 256.133 | nRig | 16 |
Exact Molecular Weight | 268.081 | nRing | 3 |
Solubility: LogS | -1.768 | nHRing | 3 |
Solubility: LogP | -1.819 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 31 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 0 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 10 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 4 | No. of Arom Atom | 9 |
No. of Oxygen atom | 5 | No. of Arom Bond | 10 |
nHA | 8 | APOL | 33.1115 |
nHD | 4 | BPOL | 19.2025 |
QED | 0.482 |
Synth | 3.748 |
Natural Product Likeliness | 1.188 |
NR-PPAR-gamma | 0.007 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.955 |
HIA | 0.962 |
CACO-2 | -5.916 |
MDCK | 0.00000762 |
BBB | 0.804 |
PPB | 0.166299 |
VDSS | 0.64 |
FU | 0.816805 |
CYP1A2-inh | 0.006 |
CYP1A2-sub | 0.674 |
CYP2c19-inh | 0.013 |
CYP2c19-sub | 0.064 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.808 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.059 |
CYP3a4-inh | 0.012 |
CYP3a4-sub | 0.019 |
CL | 6.873 |
T12 | 0.858 |
hERG | 0.024 |
Ames | 0.084 |
ROA | 0.346 |
SkinSen | 0.059 |
Carcinogencity | 0.098 |
EI | 0.011 |
Respiratory | 0.324 |
NR-Aromatase | 0.818 |
Antiviral | No |
Prediction | 0.959732 |