Chemoinformaics analysis of D-GLYCERIC ACID
Molecular Weight | 106.077 | nRot | 2 |
Heavy Atom Molecular Weight | 100.029 | nRig | 1 |
Exact Molecular Weight | 106.027 | nRing | 0 |
Solubility: LogS | 0.083 | nHRing | 0 |
Solubility: LogP | -1.486 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 13 | 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 | 6 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 3 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 12.2188 |
nHD | 3 | BPOL | 6.88724 |
QED | 0.351 |
Synth | 3.157 |
Natural Product Likeliness | 1.125 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.003 |
Pgp-sub | 0.235 |
HIA | 0.025 |
CACO-2 | -5.167 |
MDCK | 0.00774892 |
BBB | 0.582 |
PPB | 0.120518 |
VDSS | 0.548 |
FU | 0.873747 |
CYP1A2-inh | 0.01 |
CYP1A2-sub | 0.075 |
CYP2c19-inh | 0.019 |
CYP2c19-sub | 0.074 |
CYP2c9-inh | 0.004 |
CYP2c9-sub | 0.081 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.131 |
CYP3a4-inh | 0.004 |
CYP3a4-sub | 0.029 |
CL | 1.821 |
T12 | 0.937 |
hERG | 0.018 |
Ames | 0.517 |
ROA | 0.241 |
SkinSen | 0.791 |
Carcinogencity | 0.032 |
EI | 0.995 |
Respiratory | 0.623 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.983667 |