Chemoinformaics analysis of Vicine
Molecular Weight | 304.259 | nRot | 3 |
Heavy Atom Molecular Weight | 288.131 | nRig | 14 |
Exact Molecular Weight | 304.102 | nRing | 2 |
Solubility: LogS | -1.928 | nHRing | 2 |
Solubility: LogP | -3.141 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 37 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 0 |
nHetero | 11 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 10 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 4 | No. of Arom Atom | 6 |
No. of Oxygen atom | 7 | No. of Arom Bond | 6 |
nHA | 10 | APOL | 37.3827 |
nHD | 7 | BPOL | 20.9613 |
QED | 0.276 |
Synth | 4.367 |
Natural Product Likeliness | 1.812 |
NR-PPAR-gamma | 0.002 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.945 |
HIA | 0.894 |
CACO-2 | -6.424 |
MDCK | 0.000451447 |
BBB | 0.909 |
PPB | 0.161808 |
VDSS | 0.355 |
FU | 0.748469 |
CYP1A2-inh | 0.008 |
CYP1A2-sub | 0.076 |
CYP2c19-inh | 0.021 |
CYP2c19-sub | 0.033 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.003 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.031 |
CYP3a4-inh | 0.003 |
CYP3a4-sub | 0.024 |
CL | 1.822 |
T12 | 0.799 |
hERG | 0.035 |
Ames | 0.268 |
ROA | 0.782 |
SkinSen | 0.034 |
Carcinogencity | 0.816 |
EI | 0.01 |
Respiratory | 0.593 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.596797 |