Chemoinformaics analysis of ETHYL BETA-D-GLUCOPYRANOSIDE
Molecular Weight | 208.21 | nRot | 3 |
Heavy Atom Molecular Weight | 192.082 | nRig | 6 |
Exact Molecular Weight | 208.095 | nRing | 1 |
Solubility: LogS | -0.1 | nHRing | 1 |
Solubility: LogP | -1.856 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 30 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 14 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 8 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 6 | No. of Arom Bond | 0 |
nHA | 6 | APOL | 28.8407 |
nHD | 4 | BPOL | 19.5233 |
QED | 0.421 |
Synth | 3.503 |
Natural Product Likeliness | 2.348 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.023 |
HIA | 0.862 |
CACO-2 | -5.229 |
MDCK | 0.00105702 |
BBB | 0.45 |
PPB | 0.128526 |
VDSS | 0.455 |
FU | 0.76299 |
CYP1A2-inh | 0.007 |
CYP1A2-sub | 0.081 |
CYP2c19-inh | 0.012 |
CYP2c19-sub | 0.495 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.131 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.136 |
CYP3a4-inh | 0.006 |
CYP3a4-sub | 0.017 |
CL | 1.712 |
T12 | 0.581 |
hERG | 0.029 |
Ames | 0.423 |
ROA | 0.174 |
SkinSen | 0.041 |
Carcinogencity | 0.026 |
EI | 0.035 |
Respiratory | 0.023 |
NR-Aromatase | 0.005 |
Antiviral | No |
Prediction | 0.898921 |