Chemoinformaics analysis of di-glycosides of kaempferol
Molecular Weight | 286.239 | nRot | 1 |
Heavy Atom Molecular Weight | 276.159 | nRig | 18 |
Exact Molecular Weight | 286.048 | nRing | 3 |
Solubility: LogS | -3.624 | nHRing | 1 |
Solubility: LogP | 2.656 | No. of Aliphatic Rings | 0 |
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 | 0 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 2 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 10 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 6 | No. of Arom Bond | 17 |
nHA | 6 | APOL | 36.5299 |
nHD | 4 | BPOL | 12.6361 |
QED | 0.546 |
Synth | 2.375 |
Natural Product Likeliness | 1.546 |
NR-PPAR-gamma | 0.963 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.004 |
Pgp-sub | 0.011 |
HIA | 0.008 |
CACO-2 | -4.974 |
MDCK | 0.00000907 |
BBB | 0.009 |
PPB | 0.978613 |
VDSS | 0.522 |
FU | 0.0441197 |
CYP1A2-inh | 0.972 |
CYP1A2-sub | 0.11 |
CYP2c19-inh | 0.181 |
CYP2c19-sub | 0.046 |
CYP2c9-inh | 0.653 |
CYP2c9-sub | 0.867 |
CYP2d6-inh | 0.722 |
CYP2d6-sub | 0.283 |
CYP3a4-inh | 0.697 |
CYP3a4-sub | 0.08 |
CL | 6.868 |
T12 | 0.905 |
hERG | 0.07 |
Ames | 0.672 |
ROA | 0.156 |
SkinSen | 0.856 |
Carcinogencity | 0.097 |
EI | 0.929 |
Respiratory | 0.09 |
NR-Aromatase | 0.941 |
Antiviral | Yes |
Prediction | 0.724554 |