Chemoinformaics analysis of Galactaric Acid
Molecular Weight | 210.138 | nRot | 5 |
Heavy Atom Molecular Weight | 200.058 | nRig | 2 |
Exact Molecular Weight | 210.038 | nRing | 0 |
Solubility: LogS | -0.157 | nHRing | 0 |
Solubility: LogP | -2.555 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | 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 | 14 | No. of Aromatic Carbocycles | 0 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 10 | 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 | 8 | No. of Arom Bond | 0 |
nHA | 6 | APOL | 23.1039 |
nHD | 6 | BPOL | 11.7681 |
QED | 0.196 |
Synth | 4.092 |
Natural Product Likeliness | 0.544 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.387 |
HIA | 0.915 |
CACO-2 | -5.757 |
MDCK | 0.00472954 |
BBB | 0.78 |
PPB | 0.182502 |
VDSS | 0.266 |
FU | 0.681339 |
CYP1A2-inh | 0.007 |
CYP1A2-sub | 0.021 |
CYP2c19-inh | 0.015 |
CYP2c19-sub | 0.054 |
CYP2c9-inh | 0.002 |
CYP2c9-sub | 0.063 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.094 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.006 |
CL | 1.331 |
T12 | 0.814 |
hERG | 0.052 |
Ames | 0.02 |
ROA | 0.004 |
SkinSen | 0.137 |
Carcinogencity | 0.003 |
EI | 0.023 |
Respiratory | 0.583 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.925 |