Chemoinformaics analysis of GALACTURONIC-ACID
Molecular Weight | 235.192 | nRot | 6 |
Heavy Atom Molecular Weight | 222.088 | nRig | 3 |
Exact Molecular Weight | 235.069 | nRing | 0 |
Solubility: LogS | -0.029 | nHRing | 0 |
Solubility: LogP | -2.497 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 29 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 16 | No. of Aromatic Carbocycles | 0 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 13 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 8 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 7 | No. of Arom Bond | 0 |
nHA | 6 | APOL | 28.7423 |
nHD | 5 | BPOL | 16.2157 |
QED | 0.181 |
Synth | 4.261 |
Natural Product Likeliness | 0.843 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.002 |
Pgp-sub | 0.959 |
HIA | 0.236 |
CACO-2 | -5.434 |
MDCK | 0.00183662 |
BBB | 0.254 |
PPB | 0.272774 |
VDSS | 0.467 |
FU | 0.737409 |
CYP1A2-inh | 0.001 |
CYP1A2-sub | 0.031 |
CYP2c19-inh | 0.019 |
CYP2c19-sub | 0.05 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.134 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.076 |
CYP3a4-inh | 0.004 |
CYP3a4-sub | 0.01 |
CL | 1.581 |
T12 | 0.875 |
hERG | 0.02 |
Ames | 0.06 |
ROA | 0.002 |
SkinSen | 0.388 |
Carcinogencity | 0.008 |
EI | 0.025 |
Respiratory | 0.181 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.883974 |