Chemoinformaics analysis of GLUTAMINE
Molecular Weight | 146.146 | nRot | 4 |
Heavy Atom Molecular Weight | 136.066 | nRig | 2 |
Exact Molecular Weight | 146.069 | nRing | 0 |
Solubility: LogS | -1.023 | nHRing | 0 |
Solubility: LogP | -3.488 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 20 | 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 | 10 | 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 | 19.6239 |
nHD | 3 | BPOL | 10.6281 |
QED | 0.456 |
Synth | 2.427 |
Natural Product Likeliness | 0.892 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.002 |
Pgp-sub | 0.641 |
HIA | 0.007 |
CACO-2 | -6.06 |
MDCK | 0.00411814 |
BBB | 0.659 |
PPB | 0.0761812 |
VDSS | 0.401 |
FU | 0.900396 |
CYP1A2-inh | 0.006 |
CYP1A2-sub | 0.029 |
CYP2c19-inh | 0.035 |
CYP2c19-sub | 0.044 |
CYP2c9-inh | 0.024 |
CYP2c9-sub | 0.144 |
CYP2d6-inh | 0.031 |
CYP2d6-sub | 0.143 |
CYP3a4-inh | 0.009 |
CYP3a4-sub | 0.021 |
CL | 7.472 |
T12 | 0.369 |
hERG | 0.019 |
Ames | 0.033 |
ROA | 0.013 |
SkinSen | 0.186 |
Carcinogencity | 0.032 |
EI | 0.056 |
Respiratory | 0.072 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.919657 |