Chemoinformaics analysis of Aviglycine
Molecular Weight | 160.173 | nRot | 5 |
Heavy Atom Molecular Weight | 148.077 | nRig | 2 |
Exact Molecular Weight | 160.085 | nRing | 0 |
Solubility: LogS | -0.607 | nHRing | 0 |
Solubility: LogP | -2.468 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 2 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 23 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 6 | 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 | 4 | APOL | 22.6275 |
nHD | 3 | BPOL | 13.5025 |
QED | 0.359 |
Synth | 3.028 |
Natural Product Likeliness | 0.348 |
NR-PPAR-gamma | 0.01 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.012 |
HIA | 0.939 |
CACO-2 | -6.355 |
MDCK | 0.00471159 |
BBB | 0.43 |
PPB | 0.118285 |
VDSS | 0.574 |
FU | 0.90464 |
CYP1A2-inh | 0.012 |
CYP1A2-sub | 0.082 |
CYP2c19-inh | 0.026 |
CYP2c19-sub | 0.051 |
CYP2c9-inh | 0.02 |
CYP2c9-sub | 0.084 |
CYP2d6-inh | 0.011 |
CYP2d6-sub | 0.237 |
CYP3a4-inh | 0.007 |
CYP3a4-sub | 0.037 |
CL | 2.018 |
T12 | 0.812 |
hERG | 0.029 |
Ames | 0.387 |
ROA | 0.018 |
SkinSen | 0.725 |
Carcinogencity | 0.155 |
EI | 0.445 |
Respiratory | 0.157 |
NR-Aromatase | 0.006 |
Antiviral | No |
Prediction | 0.935979 |