Chemoinformaics analysis of 1-Aminoinosine
Molecular Weight | 283.244 | nRot | 2 |
Heavy Atom Molecular Weight | 270.14 | nRig | 16 |
Exact Molecular Weight | 283.092 | nRing | 3 |
Solubility: LogS | -1.998 | nHRing | 3 |
Solubility: LogP | -1.554 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 33 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 0 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 13 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 10 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 5 | No. of Arom Atom | 9 |
No. of Oxygen atom | 5 | No. of Arom Bond | 10 |
nHA | 10 | APOL | 34.8783 |
nHD | 4 | BPOL | 19.6357 |
QED | 0.424 |
Synth | 3.88 |
Natural Product Likeliness | 1.015 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.526 |
HIA | 0.977 |
CACO-2 | -6.134 |
MDCK | 0.0000367 |
BBB | 0.552 |
PPB | 0.268923 |
VDSS | 0.617 |
FU | 0.765358 |
CYP1A2-inh | 0.005 |
CYP1A2-sub | 0.144 |
CYP2c19-inh | 0.012 |
CYP2c19-sub | 0.057 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.492 |
CYP2d6-inh | 0.004 |
CYP2d6-sub | 0.075 |
CYP3a4-inh | 0.008 |
CYP3a4-sub | 0.014 |
CL | 5.998 |
T12 | 0.764 |
hERG | 0.019 |
Ames | 0.847 |
ROA | 0.011 |
SkinSen | 0.036 |
Carcinogencity | 0.698 |
EI | 0.01 |
Respiratory | 0.127 |
NR-Aromatase | 0.055 |
Antiviral | No |
Prediction | 0.795069 |