Chemoinformaics analysis of HYPOXANTHINE
Molecular Weight | 136.114 | nRot | 0 |
Heavy Atom Molecular Weight | 132.082 | nRig | 11 |
Exact Molecular Weight | 136.039 | nRing | 2 |
Solubility: LogS | -2.093 | nHRing | 2 |
Solubility: LogP | -0.833 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 14 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 10 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 4 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 5 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 4 | No. of Arom Atom | 9 |
No. of Oxygen atom | 1 | No. of Arom Bond | 10 |
nHA | 3 | APOL | 16.2192 |
nHD | 2 | BPOL | 8.30083 |
QED | 0.519 |
Synth | 3.097 |
Natural Product Likeliness | -0.267 |
NR-PPAR-gamma | 0.015 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.985 |
HIA | 0.012 |
CACO-2 | -5.013 |
MDCK | 0.00000603 |
BBB | 0.094 |
PPB | 0.166981 |
VDSS | 0.897 |
FU | 0.816097 |
CYP1A2-inh | 0.051 |
CYP1A2-sub | 0.712 |
CYP2c19-inh | 0.027 |
CYP2c19-sub | 0.064 |
CYP2c9-inh | 0.005 |
CYP2c9-sub | 0.761 |
CYP2d6-inh | 0.012 |
CYP2d6-sub | 0.033 |
CYP3a4-inh | 0.057 |
CYP3a4-sub | 0.217 |
CL | 9.469 |
T12 | 0.94 |
hERG | 0.046 |
Ames | 0.165 |
ROA | 0.966 |
SkinSen | 0.848 |
Carcinogencity | 0.035 |
EI | 0.98 |
Respiratory | 0.946 |
NR-Aromatase | 0.8 |
Antiviral | No |
Prediction | 0.680192 |