Chemoinformaics analysis of ?-glutamyl amino acid
Molecular Weight | 145.138 | nRot | 4 |
Heavy Atom Molecular Weight | 136.066 | nRig | 2 |
Exact Molecular Weight | 145.061 | nRing | 0 |
Solubility: LogS | -1.011 | nHRing | 0 |
Solubility: LogP | -3.441 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 19 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 10 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 9 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 5 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 18.9571 |
nHD | 2 | BPOL | 10.1949 |
QED | 0.528 |
Synth | 3.413 |
Natural Product Likeliness | 1.084 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.002 |
Pgp-sub | 0.594 |
HIA | 0.016 |
CACO-2 | -6.191 |
MDCK | 0.00595883 |
BBB | 0.815 |
PPB | 0.0737494 |
VDSS | 0.39 |
FU | 0.901038 |
CYP1A2-inh | 0.006 |
CYP1A2-sub | 0.034 |
CYP2c19-inh | 0.043 |
CYP2c19-sub | 0.047 |
CYP2c9-inh | 0.094 |
CYP2c9-sub | 0.234 |
CYP2d6-inh | 0.02 |
CYP2d6-sub | 0.154 |
CYP3a4-inh | 0.01 |
CYP3a4-sub | 0.024 |
CL | 5.584 |
T12 | 0.53 |
hERG | 0.014 |
Ames | 0.043 |
ROA | 0.02 |
SkinSen | 0.13 |
Carcinogencity | 0.029 |
EI | 0.054 |
Respiratory | 0.053 |
NR-Aromatase | 0.005 |
Antiviral | No |
Prediction | 0.919133 |