Chemoinformaics analysis of Majoroside
Molecular Weight | 388.369 | nRot | 4 |
Heavy Atom Molecular Weight | 364.177 | nRig | 17 |
Exact Molecular Weight | 388.137 | nRing | 3 |
Solubility: LogS | -0.759 | nHRing | 2 |
Solubility: LogP | -1.47 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 51 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 0 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 17 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 10 | No. of Arom Bond | 0 |
nHA | 10 | APOL | 52.413 |
nHD | 5 | BPOL | 31.889 |
QED | 0.267 |
Synth | 4.853 |
Natural Product Likeliness | 2.406 |
NR-PPAR-gamma | 0.015 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.997 |
HIA | 0.901 |
CACO-2 | -5.627 |
MDCK | 0.000176629 |
BBB | 0.571 |
PPB | 0.289529 |
VDSS | 0.519 |
FU | 0.579285 |
CYP1A2-inh | 0.008 |
CYP1A2-sub | 0.079 |
CYP2c19-inh | 0.013 |
CYP2c19-sub | 0.526 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.098 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.118 |
CYP3a4-inh | 0.008 |
CYP3a4-sub | 0.124 |
CL | 1.552 |
T12 | 0.29 |
hERG | 0.004 |
Ames | 0.918 |
ROA | 0.67 |
SkinSen | 0.048 |
Carcinogencity | 0.966 |
EI | 0.009 |
Respiratory | 0.936 |
NR-Aromatase | 0.017 |
Antiviral | Yes |
Prediction | 0.66637 |