Chemoinformaics analysis of Gamma-L-Glutamyl-Methionine
Molecular Weight | 278.33 | nRot | 9 |
Heavy Atom Molecular Weight | 260.186 | nRig | 3 |
Exact Molecular Weight | 278.094 | nRing | 0 |
Solubility: LogS | -1.576 | nHRing | 0 |
Solubility: LogP | -3.018 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 36 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 18 | No. of Aromatic Carbocycles | 0 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 10 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 0 |
No. of Oxygen atom | 5 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 37.8123 |
nHD | 4 | BPOL | 23.1217 |
QED | 0.447 |
Synth | 2.885 |
Natural Product Likeliness | 0.051 |
NR-PPAR-gamma | 0.026 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.374 |
HIA | 0.029 |
CACO-2 | -6.336 |
MDCK | 0.0000133 |
BBB | 0.423 |
PPB | 0.127951 |
VDSS | 0.39 |
FU | 0.788832 |
CYP1A2-inh | 0.002 |
CYP1A2-sub | 0.023 |
CYP2c19-inh | 0.03 |
CYP2c19-sub | 0.038 |
CYP2c9-inh | 0.088 |
CYP2c9-sub | 0.502 |
CYP2d6-inh | 0.016 |
CYP2d6-sub | 0.122 |
CYP3a4-inh | 0.014 |
CYP3a4-sub | 0.005 |
CL | 3.086 |
T12 | 0.778 |
hERG | 0.009 |
Ames | 0.015 |
ROA | 0.004 |
SkinSen | 0.1 |
Carcinogencity | 0.067 |
EI | 0.039 |
Respiratory | 0.031 |
NR-Aromatase | 0.005 |
Antiviral | No |
Prediction | 0.787972 |