Chemoinformaics analysis of xanthosine
Molecular Weight | 284.228 | nRot | 2 |
Heavy Atom Molecular Weight | 272.132 | nRig | 17 |
Exact Molecular Weight | 284.076 | nRing | 3 |
Solubility: LogS | -2.763 | nHRing | 3 |
Solubility: LogP | -1.974 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 32 | 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 | 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 | 6 | No. of Arom Bond | 10 |
nHA | 8 | APOL | 33.9135 |
nHD | 5 | BPOL | 19.5005 |
QED | 0.394 |
Synth | 3.781 |
Natural Product Likeliness | 1.01 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.834 |
HIA | 0.96 |
CACO-2 | -6.174 |
MDCK | 0.0000635 |
BBB | 0.845 |
PPB | 0.118432 |
VDSS | 0.358 |
FU | 0.826085 |
CYP1A2-inh | 0.005 |
CYP1A2-sub | 0.965 |
CYP2c19-inh | 0.014 |
CYP2c19-sub | 0.046 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.077 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.024 |
CYP3a4-inh | 0.007 |
CYP3a4-sub | 0.019 |
CL | 8.491 |
T12 | 0.939 |
hERG | 0.005 |
Ames | 0.103 |
ROA | 0.323 |
SkinSen | 0.037 |
Carcinogencity | 0.064 |
EI | 0.011 |
Respiratory | 0.482 |
NR-Aromatase | 0.007 |
Antiviral | No |
Prediction | 0.817841 |