Chemoinformaics analysis of 2-AMINO-3-OXOPROPANOIC ACID
Molecular Weight | 103.077 | nRot | 2 |
Heavy Atom Molecular Weight | 98.037 | nRig | 26 |
Exact Molecular Weight | 103.027 | nRing | 0 |
Solubility: LogS | -6.142 | nHRing | 0 |
Solubility: LogP | 7.815 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 12 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 7 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | 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 | 3 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 11.85 |
nHD | 2 | BPOL | 6.18203 |
QED | 0.387 |
Synth | 4.56 |
Natural Product Likeliness | 3.289 |
NR-PPAR-gamma | 0.094 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.049 |
Pgp-sub | 0 |
HIA | 0.03 |
CACO-2 | -5.034 |
MDCK | 0.00000676 |
BBB | 0.749 |
PPB | 0.997845 |
VDSS | 1.82 |
FU | 0.0251997 |
CYP1A2-inh | 0.021 |
CYP1A2-sub | 0.402 |
CYP2c19-inh | 0.061 |
CYP2c19-sub | 0.968 |
CYP2c9-inh | 0.093 |
CYP2c9-sub | 0.488 |
CYP2d6-inh | 0.114 |
CYP2d6-sub | 0.748 |
CYP3a4-inh | 0.2 |
CYP3a4-sub | 0.522 |
CL | 15.308 |
T12 | 0.009 |
hERG | 0.004 |
Ames | 0.018 |
ROA | 0.095 |
SkinSen | 0.035 |
Carcinogencity | 0.017 |
EI | 0.413 |
Respiratory | 0.965 |
NR-Aromatase | 0.567 |
Antiviral | No |
Prediction | 0.979667 |