Chemoinformaics analysis of Gamma-Glutamylvaline
Molecular Weight | 246.263 | nRot | 7 |
Heavy Atom Molecular Weight | 228.119 | nRig | 3 |
Exact Molecular Weight | 246.122 | nRing | 0 |
Solubility: LogS | -1.545 | nHRing | 0 |
Solubility: LogP | -3.081 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 35 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 17 | No. of Aromatic Carbocycles | 0 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 10 | 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 | 34.9123 |
nHD | 4 | BPOL | 20.6617 |
QED | 0.474 |
Synth | 2.747 |
Natural Product Likeliness | 0.387 |
NR-PPAR-gamma | 0.013 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.163 |
HIA | 0.053 |
CACO-2 | -6.228 |
MDCK | 0.00540804 |
BBB | 0.573 |
PPB | 0.0890789 |
VDSS | 0.345 |
FU | 0.777914 |
CYP1A2-inh | 0.003 |
CYP1A2-sub | 0.019 |
CYP2c19-inh | 0.043 |
CYP2c19-sub | 0.04 |
CYP2c9-inh | 0.135 |
CYP2c9-sub | 0.682 |
CYP2d6-inh | 0.047 |
CYP2d6-sub | 0.109 |
CYP3a4-inh | 0.022 |
CYP3a4-sub | 0.018 |
CL | 4.157 |
T12 | 0.683 |
hERG | 0.009 |
Ames | 0.011 |
ROA | 0.007 |
SkinSen | 0.148 |
Carcinogencity | 0.012 |
EI | 0.037 |
Respiratory | 0.055 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.838338 |