Chemoinformaics analysis of Bis-gamma-glutamylcystine
Molecular Weight | 498.536 | nRot | 17 |
Heavy Atom Molecular Weight | 472.328 | nRig | 6 |
Exact Molecular Weight | 498.109 | nRing | 0 |
Solubility: LogS | -1.864 | nHRing | 0 |
Solubility: LogP | -5.374 | No. of Aliphatic Rings | 0 |
Acid Count | 4 | No. of Aromatic Rings | 0 |
Base Count | 2 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 58 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 32 | No. of Aromatic Carbocycles | 0 |
nHetero | 16 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 26 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 4 | No. of Arom Atom | 0 |
No. of Oxygen atom | 10 | No. of Arom Bond | 0 |
nHA | 10 | APOL | 62.2766 |
nHD | 8 | BPOL | 33.7514 |
QED | 0.079 |
Synth | 3.775 |
Natural Product Likeliness | 0.357 |
NR-PPAR-gamma | 0.029 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.531 |
HIA | 0.699 |
CACO-2 | -6.82 |
MDCK | 0.000914416 |
BBB | 0.063 |
PPB | 0.141685 |
VDSS | 0.777 |
FU | 0.662226 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0.001 |
CYP2c19-inh | 0.027 |
CYP2c19-sub | 0.015 |
CYP2c9-inh | 0.226 |
CYP2c9-sub | 0.257 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.072 |
CYP3a4-inh | 0.015 |
CYP3a4-sub | 0 |
CL | 2.182 |
T12 | 0.801 |
hERG | 0.005 |
Ames | 0.028 |
ROA | 0.002 |
SkinSen | 0.324 |
Carcinogencity | 0.023 |
EI | 0.083 |
Respiratory | 0.039 |
NR-Aromatase | 0.019 |
Antiviral | Yes |
Prediction | 0.739742 |