Chemoinformaics analysis of DL-Asparagine
Molecular Weight | 132.119 | nRot | 3 |
Heavy Atom Molecular Weight | 124.055 | nRig | 2 |
Exact Molecular Weight | 132.053 | nRing | 0 |
Solubility: LogS | -0.984 | nHRing | 0 |
Solubility: LogP | -3.446 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 17 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 9 | No. of Aromatic Carbocycles | 0 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 8 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 4 | 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 | 16.6203 |
nHD | 3 | BPOL | 8.62166 |
QED | 0.424 |
Synth | 2.516 |
Natural Product Likeliness | 0.801 |
NR-PPAR-gamma | 0.007 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.843 |
HIA | 0.007 |
CACO-2 | -6.156 |
MDCK | 0.0046182 |
BBB | 0.68 |
PPB | 0.0786116 |
VDSS | 0.366 |
FU | 0.906014 |
CYP1A2-inh | 0.006 |
CYP1A2-sub | 0.032 |
CYP2c19-inh | 0.035 |
CYP2c19-sub | 0.046 |
CYP2c9-inh | 0.011 |
CYP2c9-sub | 0.199 |
CYP2d6-inh | 0.03 |
CYP2d6-sub | 0.141 |
CYP3a4-inh | 0.01 |
CYP3a4-sub | 0.021 |
CL | 7.664 |
T12 | 0.395 |
hERG | 0.018 |
Ames | 0.03 |
ROA | 0.017 |
SkinSen | 0.208 |
Carcinogencity | 0.026 |
EI | 0.076 |
Respiratory | 0.078 |
NR-Aromatase | 0.002 |
Antiviral | No |
Prediction | 0.947917 |