Chemoinformaics analysis of GLUTAMIC-ACID
Molecular Weight | 147.13 | nRot | 4 |
Heavy Atom Molecular Weight | 138.058 | nRig | 2 |
Exact Molecular Weight | 147.053 | nRing | 0 |
Solubility: LogS | -1.092 | nHRing | 0 |
Solubility: LogP | -3.725 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 19 | 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 | 9 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 5 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 18.6591 |
nHD | 3 | BPOL | 10.1949 |
QED | 0.486 |
Synth | 2.321 |
Natural Product Likeliness | 1.316 |
NR-PPAR-gamma | 0.03 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.062 |
HIA | 0.023 |
CACO-2 | -6.077 |
MDCK | 0.00717528 |
BBB | 0.426 |
PPB | 0.106386 |
VDSS | 0.316 |
FU | 0.806435 |
CYP1A2-inh | 0.004 |
CYP1A2-sub | 0.022 |
CYP2c19-inh | 0.034 |
CYP2c19-sub | 0.04 |
CYP2c9-inh | 0.02 |
CYP2c9-sub | 0.423 |
CYP2d6-inh | 0.035 |
CYP2d6-sub | 0.139 |
CYP3a4-inh | 0.015 |
CYP3a4-sub | 0.005 |
CL | 8.082 |
T12 | 0.675 |
hERG | 0.011 |
Ames | 0.03 |
ROA | 0.016 |
SkinSen | 0.138 |
Carcinogencity | 0.061 |
EI | 0.113 |
Respiratory | 0.056 |
NR-Aromatase | 0.005 |
Antiviral | No |
Prediction | 0.919133 |