Chemoinformaics analysis of glutathione
Molecular Weight | 307.328 | nRot | 9 |
Heavy Atom Molecular Weight | 290.192 | nRig | 4 |
Exact Molecular Weight | 307.084 | nRing | 0 |
Solubility: LogS | -1.235 | nHRing | 0 |
Solubility: LogP | -3.447 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 37 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 0 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 17 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 10 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 3 | No. of Arom Atom | 0 |
No. of Oxygen atom | 6 | No. of Arom Bond | 0 |
nHA | 6 | APOL | 39.0475 |
nHD | 6 | BPOL | 23.5565 |
QED | 0.263 |
Synth | 3.005 |
Natural Product Likeliness | 0.482 |
NR-PPAR-gamma | 0.021 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.03 |
HIA | 0.117 |
CACO-2 | -6.859 |
MDCK | 0.000501794 |
BBB | 0.051 |
PPB | 0.125173 |
VDSS | 0.34 |
FU | 0.855747 |
CYP1A2-inh | 0.001 |
CYP1A2-sub | 0.008 |
CYP2c19-inh | 0.037 |
CYP2c19-sub | 0.031 |
CYP2c9-inh | 0.123 |
CYP2c9-sub | 0.451 |
CYP2d6-inh | 0.004 |
CYP2d6-sub | 0.124 |
CYP3a4-inh | 0.008 |
CYP3a4-sub | 0.002 |
CL | 2.605 |
T12 | 0.802 |
hERG | 0.013 |
Ames | 0.85 |
ROA | 0.021 |
SkinSen | 0.209 |
Carcinogencity | 0.047 |
EI | 0.032 |
Respiratory | 0.299 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.722195 |