Chemoinformaics analysis of Benzyl ?-D-glucopyranoside
Molecular Weight | 270.281 | nRot | 4 |
Heavy Atom Molecular Weight | 252.137 | nRig | 12 |
Exact Molecular Weight | 270.11 | nRing | 2 |
Solubility: LogS | -0.657 | nHRing | 1 |
Solubility: LogP | -0.462 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 37 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 1 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 13 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 6 | No. of Arom Bond | 6 |
nHA | 6 | APOL | 38.5243 |
nHD | 4 | BPOL | 21.5297 |
QED | 0.56 |
Synth | 3.176 |
Natural Product Likeliness | 1.615 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.01 |
HIA | 0.89 |
CACO-2 | -5.255 |
MDCK | 0.00092958 |
BBB | 0.529 |
PPB | 0.20029 |
VDSS | 0.663 |
FU | 0.65486 |
CYP1A2-inh | 0.016 |
CYP1A2-sub | 0.054 |
CYP2c19-inh | 0.013 |
CYP2c19-sub | 0.083 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.085 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.203 |
CYP3a4-inh | 0.002 |
CYP3a4-sub | 0.057 |
CL | 1.534 |
T12 | 0.525 |
hERG | 0.047 |
Ames | 0.409 |
ROA | 0.061 |
SkinSen | 0.055 |
Carcinogencity | 0.047 |
EI | 0.025 |
Respiratory | 0.02 |
NR-Aromatase | 0.009 |
Antiviral | Yes |
Prediction | 0.810592 |