Chemoinformaics analysis of dextrose
Molecular Weight | 116.204 | nRot | 4 |
Heavy Atom Molecular Weight | 100.076 | nRig | 7 |
Exact Molecular Weight | 116.12 | nRing | 0 |
Solubility: LogS | -2.511 | nHRing | 0 |
Solubility: LogP | 2.393 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 24 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 8 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 7 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 23.1607 |
nHD | 1 | BPOL | 16.0513 |
QED | 0.637 |
Synth | 1.312 |
Natural Product Likeliness | -0.523 |
NR-PPAR-gamma | 0.363 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.001 |
HIA | 0.003 |
CACO-2 | -4.315 |
MDCK | 0.000052 |
BBB | 0.937 |
PPB | 0.725265 |
VDSS | 0.677 |
FU | 0.186801 |
CYP1A2-inh | 0.965 |
CYP1A2-sub | 0.192 |
CYP2c19-inh | 0.926 |
CYP2c19-sub | 0.353 |
CYP2c9-inh | 0.528 |
CYP2c9-sub | 0.226 |
CYP2d6-inh | 0.029 |
CYP2d6-sub | 0.15 |
CYP3a4-inh | 0.075 |
CYP3a4-sub | 0.414 |
CL | 12.427 |
T12 | 0.869 |
hERG | 0.047 |
Ames | 0.037 |
ROA | 0.063 |
SkinSen | 0.39 |
Carcinogencity | 0.3 |
EI | 0.98 |
Respiratory | 0.035 |
NR-Aromatase | 0.007 |
Antiviral | No |
Prediction | 0.956664 |