Chemoinformaics analysis of GAMMA-GLUTAMYL-GLUTAMIC-ACID
Molecular Weight | 458.552 | nRot | 20 |
Heavy Atom Molecular Weight | 420.248 | nRig | 5 |
Exact Molecular Weight | 458.263 | nRing | 0 |
Solubility: LogS | -3.153 | nHRing | 0 |
Solubility: LogP | 1.719 | No. of Aliphatic Rings | 0 |
Acid Count | 3 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 70 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 32 | No. of Aromatic Carbocycles | 0 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 38 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 22 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 0 |
No. of Oxygen atom | 8 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 70.6941 |
nHD | 5 | BPOL | 43.6019 |
QED | 0.173 |
Synth | 2.928 |
Natural Product Likeliness | 0.261 |
NR-PPAR-gamma | 0.319 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.009 |
HIA | 0.937 |
CACO-2 | -6.076 |
MDCK | 0.0000287 |
BBB | 0.009 |
PPB | 0.908979 |
VDSS | 0.522 |
FU | 0.0597345 |
CYP1A2-inh | 0.003 |
CYP1A2-sub | 0.029 |
CYP2c19-inh | 0.045 |
CYP2c19-sub | 0.036 |
CYP2c9-inh | 0.108 |
CYP2c9-sub | 0.979 |
CYP2d6-inh | 0.063 |
CYP2d6-sub | 0.08 |
CYP3a4-inh | 0.019 |
CYP3a4-sub | 0.001 |
CL | 0.977 |
T12 | 0.824 |
hERG | 0.004 |
Ames | 0.006 |
ROA | 0.001 |
SkinSen | 0.126 |
Carcinogencity | 0.053 |
EI | 0.038 |
Respiratory | 0.017 |
NR-Aromatase | 0.019 |
Antiviral | Yes |
Prediction | 0.829165 |