Chemoinformaics analysis of Glutaric acid
Molecular Weight | 132.115 | nRot | 4 |
Heavy Atom Molecular Weight | 124.051 | nRig | 2 |
Exact Molecular Weight | 132.042 | nRing | 0 |
Solubility: LogS | 0.044 | nHRing | 0 |
Solubility: LogP | -0.118 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 17 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 9 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 8 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 5 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 16.8923 |
nHD | 2 | BPOL | 9.76166 |
QED | 0.577 |
Synth | 1.63 |
Natural Product Likeliness | 0.403 |
NR-PPAR-gamma | 0.706 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.006 |
HIA | 0.077 |
CACO-2 | -5.888 |
MDCK | 0.00171412 |
BBB | 0.171 |
PPB | 0.473988 |
VDSS | 0.259 |
FU | 0.533163 |
CYP1A2-inh | 0.006 |
CYP1A2-sub | 0.046 |
CYP2c19-inh | 0.024 |
CYP2c19-sub | 0.043 |
CYP2c9-inh | 0.006 |
CYP2c9-sub | 0.918 |
CYP2d6-inh | 0.013 |
CYP2d6-sub | 0.119 |
CYP3a4-inh | 0.01 |
CYP3a4-sub | 0.006 |
CL | 4.098 |
T12 | 0.86 |
hERG | 0.004 |
Ames | 0.016 |
ROA | 0.005 |
SkinSen | 0.123 |
Carcinogencity | 0.055 |
EI | 0.982 |
Respiratory | 0.026 |
NR-Aromatase | 0.005 |
Antiviral | No |
Prediction | 0.956879 |