Chemoinformaics analysis of 4-O-METHYL-GLUCURONIC-ACID
Molecular Weight | 208.166 | nRot | 2 |
Heavy Atom Molecular Weight | 196.07 | nRig | 7 |
Exact Molecular Weight | 208.058 | nRing | 1 |
Solubility: LogS | -0.173 | nHRing | 1 |
Solubility: LogP | -2.325 | No. of Aliphatic Rings | 1 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 26 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 14 | No. of Aromatic Carbocycles | 0 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 7 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 7 | No. of Arom Bond | 0 |
nHA | 6 | APOL | 25.3055 |
nHD | 4 | BPOL | 16.3785 |
QED | 0.397 |
Synth | 3.833 |
Natural Product Likeliness | 2.046 |
NR-PPAR-gamma | 0.01 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.176 |
HIA | 0.915 |
CACO-2 | -6.143 |
MDCK | 0.000638327 |
BBB | 0.646 |
PPB | 0.117164 |
VDSS | 0.283 |
FU | 0.816024 |
CYP1A2-inh | 0.004 |
CYP1A2-sub | 0.052 |
CYP2c19-inh | 0.014 |
CYP2c19-sub | 0.054 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.207 |
CYP2d6-inh | 0.014 |
CYP2d6-sub | 0.127 |
CYP3a4-inh | 0.007 |
CYP3a4-sub | 0.004 |
CL | 1.628 |
T12 | 0.816 |
hERG | 0.013 |
Ames | 0.023 |
ROA | 0.181 |
SkinSen | 0.042 |
Carcinogencity | 0.007 |
EI | 0.015 |
Respiratory | 0.037 |
NR-Aromatase | 0.005 |
Antiviral | No |
Prediction | 0.901881 |