Chemoinformaics analysis of Gamma-L-Glutamyl-Arginine
Molecular Weight | 303.319 | nRot | 10 |
Heavy Atom Molecular Weight | 282.151 | nRig | 4 |
Exact Molecular Weight | 303.154 | nRing | 0 |
Solubility: LogS | -1.088 | nHRing | 0 |
Solubility: LogP | -4.256 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 4 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 42 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 0 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 21 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 11 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 5 | No. of Arom Atom | 0 |
No. of Oxygen atom | 5 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 41.8827 |
nHD | 6 | BPOL | 23.6713 |
QED | 0.129 |
Synth | 3.268 |
Natural Product Likeliness | 0.264 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.405 |
HIA | 0.951 |
CACO-2 | -6.642 |
MDCK | 0.000714011 |
BBB | 0.153 |
PPB | 0.194867 |
VDSS | 0.83 |
FU | 0.922908 |
CYP1A2-inh | 0.001 |
CYP1A2-sub | 0.007 |
CYP2c19-inh | 0.034 |
CYP2c19-sub | 0.029 |
CYP2c9-inh | 0.141 |
CYP2c9-sub | 0.034 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.173 |
CYP3a4-inh | 0.001 |
CYP3a4-sub | 0.003 |
CL | 1.442 |
T12 | 0.628 |
hERG | 0.022 |
Ames | 0.04 |
ROA | 0.005 |
SkinSen | 0.65 |
Carcinogencity | 0.045 |
EI | 0.101 |
Respiratory | 0.273 |
NR-Aromatase | 0.002 |
Antiviral | Yes |
Prediction | 0.658692 |