Chemoinformaics analysis of ASCORBIC-ACID
Molecular Weight | 176.124 | nRot | 2 |
Heavy Atom Molecular Weight | 168.06 | nRig | 5 |
Exact Molecular Weight | 176.032 | nRing | 1 |
Solubility: LogS | -0.613 | nHRing | 1 |
Solubility: LogP | -1.42 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 20 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 0 |
nHetero | 6 | 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 | 6 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 6 | No. of Arom Bond | 0 |
nHA | 6 | APOL | 20.1663 |
nHD | 4 | BPOL | 10.6297 |
QED | 0.412 |
Synth | 4.044 |
Natural Product Likeliness | 1.746 |
NR-PPAR-gamma | 0.247 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.089 |
HIA | 0.069 |
CACO-2 | -5.917 |
MDCK | 0.000142819 |
BBB | 0.073 |
PPB | 0.632297 |
VDSS | 0.937 |
FU | 0.365764 |
CYP1A2-inh | 0.013 |
CYP1A2-sub | 0.052 |
CYP2c19-inh | 0.01 |
CYP2c19-sub | 0.057 |
CYP2c9-inh | 0.007 |
CYP2c9-sub | 0.23 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.157 |
CYP3a4-inh | 0.004 |
CYP3a4-sub | 0.028 |
CL | 9.964 |
T12 | 0.928 |
hERG | 0.015 |
Ames | 0.027 |
ROA | 0.06 |
SkinSen | 0.837 |
Carcinogencity | 0.266 |
EI | 0.169 |
Respiratory | 0.096 |
NR-Aromatase | 0.024 |
Antiviral | No |
Prediction | 0.886938 |