Chemoinformaics analysis of Ascorbigen
Molecular Weight | 305.286 | nRot | 2 |
Heavy Atom Molecular Weight | 290.166 | nRig | 20 |
Exact Molecular Weight | 305.09 | nRing | 4 |
Solubility: LogS | -2.112 | nHRing | 3 |
Solubility: LogP | 1.089 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 37 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 1 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 15 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 15 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 9 |
No. of Oxygen atom | 6 | No. of Arom Bond | 10 |
nHA | 6 | APOL | 40.9639 |
nHD | 4 | BPOL | 19.9581 |
QED | 0.554 |
Synth | 4.16 |
Natural Product Likeliness | 1.457 |
NR-PPAR-gamma | 0.03 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.038 |
HIA | 0.68 |
CACO-2 | -5.296 |
MDCK | 0.00000776 |
BBB | 0.922 |
PPB | 0.535838 |
VDSS | 1.159 |
FU | 0.370341 |
CYP1A2-inh | 0.092 |
CYP1A2-sub | 0.75 |
CYP2c19-inh | 0.064 |
CYP2c19-sub | 0.564 |
CYP2c9-inh | 0.014 |
CYP2c9-sub | 0.347 |
CYP2d6-inh | 0.017 |
CYP2d6-sub | 0.437 |
CYP3a4-inh | 0.042 |
CYP3a4-sub | 0.323 |
CL | 3.527 |
T12 | 0.225 |
hERG | 0.036 |
Ames | 0.366 |
ROA | 0.625 |
SkinSen | 0.148 |
Carcinogencity | 0.114 |
EI | 0.01 |
Respiratory | 0.023 |
NR-Aromatase | 0.964 |
Antiviral | Yes |
Prediction | 0.773499 |