Chemoinformaics analysis of Gamma-L-Glutamyl-Cysteine
Molecular Weight | 250.276 | nRot | 7 |
Heavy Atom Molecular Weight | 236.164 | nRig | 3 |
Exact Molecular Weight | 250.062 | nRing | 0 |
Solubility: LogS | -1.223 | nHRing | 0 |
Solubility: LogP | -3.105 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 30 | 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 | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 8 | 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 | 31.8051 |
nHD | 5 | BPOL | 19.1089 |
QED | 0.356 |
Synth | 2.933 |
Natural Product Likeliness | 0.607 |
NR-PPAR-gamma | 0.025 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.018 |
HIA | 0.056 |
CACO-2 | -6.624 |
MDCK | 0.002904 |
BBB | 0.126 |
PPB | 0.123833 |
VDSS | 0.393 |
FU | 0.822875 |
CYP1A2-inh | 0.001 |
CYP1A2-sub | 0.014 |
CYP2c19-inh | 0.034 |
CYP2c19-sub | 0.034 |
CYP2c9-inh | 0.081 |
CYP2c9-sub | 0.423 |
CYP2d6-inh | 0.011 |
CYP2d6-sub | 0.121 |
CYP3a4-inh | 0.015 |
CYP3a4-sub | 0.002 |
CL | 3.33 |
T12 | 0.688 |
hERG | 0.009 |
Ames | 0.779 |
ROA | 0.014 |
SkinSen | 0.226 |
Carcinogencity | 0.038 |
EI | 0.04 |
Respiratory | 0.225 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.882928 |