Chemoinformaics analysis of METHYL-GLUTAMIC-ACID
Molecular Weight | 236.293 | nRot | 8 |
Heavy Atom Molecular Weight | 220.165 | nRig | 2 |
Exact Molecular Weight | 236.083 | nRing | 0 |
Solubility: LogS | -1.016 | nHRing | 0 |
Solubility: LogP | -3.865 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 2 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 31 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 15 | No. of Aromatic Carbocycles | 0 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 8 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 32.3367 |
nHD | 4 | BPOL | 19.1073 |
QED | 0.405 |
Synth | 3.51 |
Natural Product Likeliness | 0.471 |
NR-PPAR-gamma | 0.044 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.067 |
HIA | 0.078 |
CACO-2 | -6.561 |
MDCK | 0.000320779 |
BBB | 0.48 |
PPB | 0.0868532 |
VDSS | 0.537 |
FU | 0.8413 |
CYP1A2-inh | 0.003 |
CYP1A2-sub | 0.022 |
CYP2c19-inh | 0.018 |
CYP2c19-sub | 0.04 |
CYP2c9-inh | 0.029 |
CYP2c9-sub | 0.198 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.165 |
CYP3a4-inh | 0.012 |
CYP3a4-sub | 0.005 |
CL | 4.129 |
T12 | 0.797 |
hERG | 0.023 |
Ames | 0.03 |
ROA | 0.047 |
SkinSen | 0.104 |
Carcinogencity | 0.259 |
EI | 0.085 |
Respiratory | 0.075 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.881414 |