Chemoinformaics analysis of GLYOXYLIC-ACID
Molecular Weight | 322.489 | nRot | 2 |
Heavy Atom Molecular Weight | 288.217 | nRig | 17 |
Exact Molecular Weight | 322.251 | nRing | 3 |
Solubility: LogS | -4.809 | nHRing | 1 |
Solubility: LogP | 4.393 | No. of Aliphatic Rings | 3 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 57 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 34 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 20 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 2 | APOL | 58.477 |
nHD | 1 | BPOL | 36.713 |
QED | 0.775 |
Synth | 4.242 |
Natural Product Likeliness | 2.575 |
NR-PPAR-gamma | 0.959 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.033 |
Pgp-sub | 0 |
HIA | 0.007 |
CACO-2 | -5.053 |
MDCK | 0.0000196 |
BBB | 0.22 |
PPB | 0.954162 |
VDSS | 1.007 |
FU | 0.0523167 |
CYP1A2-inh | 0.01 |
CYP1A2-sub | 0.526 |
CYP2c19-inh | 0.021 |
CYP2c19-sub | 0.931 |
CYP2c9-inh | 0.176 |
CYP2c9-sub | 0.942 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.538 |
CYP3a4-inh | 0.054 |
CYP3a4-sub | 0.124 |
CL | 14.048 |
T12 | 0.414 |
hERG | 0.007 |
Ames | 0.012 |
ROA | 0.027 |
SkinSen | 0.088 |
Carcinogencity | 0.042 |
EI | 0.115 |
Respiratory | 0.912 |
NR-Aromatase | 0.101 |
Antiviral | Yes |
Prediction | 0.605111 |