Chemoinformaics analysis of Evoxanthidine
Molecular Weight | 269.256 | nRot | 1 |
Heavy Atom Molecular Weight | 258.168 | nRig | 21 |
Exact Molecular Weight | 269.069 | nRing | 4 |
Solubility: LogS | -3.905 | nHRing | 2 |
Solubility: LogP | 2.372 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 31 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 11 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 14 |
No. of Oxygen atom | 4 | No. of Arom Bond | 16 |
nHA | 4 | APOL | 36.6927 |
nHD | 1 | BPOL | 17.6813 |
QED | 0.689 |
Synth | 2.406 |
Natural Product Likeliness | 0.89 |
NR-PPAR-gamma | 0.054 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.421 |
Pgp-sub | 0 |
HIA | 0.003 |
CACO-2 | -4.889 |
MDCK | 0.0000182 |
BBB | 0.519 |
PPB | 0.887541 |
VDSS | 0.719 |
FU | 0.0665484 |
CYP1A2-inh | 0.985 |
CYP1A2-sub | 0.71 |
CYP2c19-inh | 0.902 |
CYP2c19-sub | 0.319 |
CYP2c9-inh | 0.625 |
CYP2c9-sub | 0.92 |
CYP2d6-inh | 0.842 |
CYP2d6-sub | 0.882 |
CYP3a4-inh | 0.899 |
CYP3a4-sub | 0.166 |
CL | 3.676 |
T12 | 0.289 |
hERG | 0.043 |
Ames | 0.733 |
ROA | 0.024 |
SkinSen | 0.904 |
Carcinogencity | 0.926 |
EI | 0.966 |
Respiratory | 0.953 |
NR-Aromatase | 0.166 |
Antiviral | Yes |
Prediction | 0.670251 |