Chemoinformaics analysis of glycine
Molecular Weight | 75.067 | nRot | 1 |
Heavy Atom Molecular Weight | 70.027 | nRig | 1 |
Exact Molecular Weight | 75.032 | nRing | 0 |
Solubility: LogS | 0.434 | nHRing | 0 |
Solubility: LogP | -2.931 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 10 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 5 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 5 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 2 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 9.37796 |
nHD | 2 | BPOL | 5.31403 |
QED | 0.421 |
Synth | 2.052 |
Natural Product Likeliness | 0.45 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.007 |
HIA | 0.008 |
CACO-2 | -5.766 |
MDCK | 0.0044286 |
BBB | 0.228 |
PPB | 0.0854772 |
VDSS | 0.541 |
FU | 0.860024 |
CYP1A2-inh | 0.012 |
CYP1A2-sub | 0.073 |
CYP2c19-inh | 0.032 |
CYP2c19-sub | 0.056 |
CYP2c9-inh | 0.017 |
CYP2c9-sub | 0.767 |
CYP2d6-inh | 0.015 |
CYP2d6-sub | 0.251 |
CYP3a4-inh | 0.012 |
CYP3a4-sub | 0.035 |
CL | 4.173 |
T12 | 0.766 |
hERG | 0.016 |
Ames | 0.156 |
ROA | 0.192 |
SkinSen | 0.293 |
Carcinogencity | 0.107 |
EI | 0.194 |
Respiratory | 0.353 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.946667 |