Chemoinformaics analysis of Galactose sugar
Molecular Weight | 180.156 | nRot | 5 |
Heavy Atom Molecular Weight | 168.06 | nRig | 1 |
Exact Molecular Weight | 180.063 | nRing | 0 |
Solubility: LogS | 0.062 | nHRing | 0 |
Solubility: LogP | -2.301 | 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 | 12 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 6 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 6 | No. of Arom Bond | 0 |
nHA | 6 | APOL | 22.8335 |
nHD | 5 | BPOL | 12.9065 |
QED | 0.301 |
Synth | 3.801 |
Natural Product Likeliness | 1.56 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.007 |
Pgp-sub | 0.102 |
HIA | 0.192 |
CACO-2 | -5.303 |
MDCK | 0.00404376 |
BBB | 0.532 |
PPB | 0.109129 |
VDSS | 0.772 |
FU | 0.781569 |
CYP1A2-inh | 0.011 |
CYP1A2-sub | 0.032 |
CYP2c19-inh | 0.008 |
CYP2c19-sub | 0.055 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.075 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.099 |
CYP3a4-inh | 0.003 |
CYP3a4-sub | 0.011 |
CL | 1.269 |
T12 | 0.903 |
hERG | 0.087 |
Ames | 0.054 |
ROA | 0.017 |
SkinSen | 0.048 |
Carcinogencity | 0.004 |
EI | 0.033 |
Respiratory | 0.018 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.868613 |