Chemoinformaics analysis of Gamma-L-Glutamyl-Isoleucine
Molecular Weight | 260.29 | nRot | 8 |
Heavy Atom Molecular Weight | 240.13 | nRig | 3 |
Exact Molecular Weight | 260.137 | nRing | 0 |
Solubility: LogS | -1.552 | nHRing | 0 |
Solubility: LogP | -2.467 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 38 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 18 | No. of Aromatic Carbocycles | 0 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 11 | 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 | 4 | APOL | 37.9159 |
nHD | 4 | BPOL | 22.6681 |
QED | 0.478 |
Synth | 2.997 |
Natural Product Likeliness | 0.386 |
NR-PPAR-gamma | 0.016 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.082 |
HIA | 0.42 |
CACO-2 | -6.139 |
MDCK | 0.00381884 |
BBB | 0.585 |
PPB | 0.090875 |
VDSS | 0.371 |
FU | 0.735215 |
CYP1A2-inh | 0.003 |
CYP1A2-sub | 0.027 |
CYP2c19-inh | 0.042 |
CYP2c19-sub | 0.044 |
CYP2c9-inh | 0.066 |
CYP2c9-sub | 0.56 |
CYP2d6-inh | 0.045 |
CYP2d6-sub | 0.113 |
CYP3a4-inh | 0.017 |
CYP3a4-sub | 0.012 |
CL | 4.386 |
T12 | 0.737 |
hERG | 0.01 |
Ames | 0.003 |
ROA | 0.01 |
SkinSen | 0.09 |
Carcinogencity | 0.017 |
EI | 0.041 |
Respiratory | 0.054 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.686932 |