Chemoinformaics analysis of 6-Methoxy-Luteolin-7-Glucuronide
Molecular Weight | 492.389 | nRot | 5 |
Heavy Atom Molecular Weight | 472.229 | nRig | 25 |
Exact Molecular Weight | 492.09 | nRing | 4 |
Solubility: LogS | -3.929 | nHRing | 2 |
Solubility: LogP | 0.578 | No. of Aliphatic Rings | 1 |
Acid Count | 1 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 55 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 35 | No. of Aromatic Carbocycles | 2 |
nHetero | 13 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 22 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 13 | No. of Arom Bond | 17 |
nHA | 12 | APOL | 60.5019 |
nHD | 7 | BPOL | 28.7441 |
QED | 0.231 |
Synth | 4.091 |
Natural Product Likeliness | 1.841 |
NR-PPAR-gamma | 0.947 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.872 |
HIA | 0.834 |
CACO-2 | -6.469 |
MDCK | 0.000031 |
BBB | 0.029 |
PPB | 0.830625 |
VDSS | 0.64 |
FU | 0.183477 |
CYP1A2-inh | 0.03 |
CYP1A2-sub | 0.058 |
CYP2c19-inh | 0.019 |
CYP2c19-sub | 0.048 |
CYP2c9-inh | 0.005 |
CYP2c9-sub | 0.189 |
CYP2d6-inh | 0.006 |
CYP2d6-sub | 0.139 |
CYP3a4-inh | 0.015 |
CYP3a4-sub | 0.002 |
CL | 1.357 |
T12 | 0.876 |
hERG | 0.033 |
Ames | 0.149 |
ROA | 0.044 |
SkinSen | 0.05 |
Carcinogencity | 0.077 |
EI | 0.012 |
Respiratory | 0.036 |
NR-Aromatase | 0.72 |
Antiviral | Yes |
Prediction | 0.871721 |