Chemoinformaics analysis of KAEMPFEROL 3-O-(6''-O-ACETYL)GLUCOSIDE-7-O-RHAMNOSIDE
Molecular Weight | nRot | ||
Heavy Atom Molecular Weight | nRig | ||
Exact Molecular Weight | nRing | ||
Solubility: LogS | nHRing | ||
Solubility: LogP | No. of Aliphatic Rings | ||
Acid Count | No. of Aromatic Rings | ||
Base Count | No. of Aliphatic Carbocycles Rings | ||
Atoms Count | No. of Aliphatic Hetero Cycles | ||
No. of Heavy Atom | No. of Aromatic Carbocycles | ||
nHetero | No. of Aromatic Hetero Cycles | ||
nBridge Head | No. Saturated Carbocycles | ||
No. of Hydrogen atom | No. of Saturated Hetero Cycles | ||
No. of Carbon atom | No. of Saturated Rings | ||
No. of Nitrogen atom | No. of Arom Atom | ||
No. of Oxygen atom | No. of Arom Bond | ||
nHA | APOL | ||
nHD | BPOL |
QED | |
Synth | |
Natural Product Likeliness | |
NR-PPAR-gamma |
Lipinski | |
Pfizer | |
GSK | |
Golden Triangle |
Pgp-inh | |
Pgp-sub | |
HIA | |
CACO-2 |
MDCK | |
BBB | |
PPB | |
VDSS |
FU | |
CYP1A2-inh | |
CYP1A2-sub | |
CYP2c19-inh | |
CYP2c19-sub | |
CYP2c9-inh | |
CYP2c9-sub | |
CYP2d6-inh | |
CYP2d6-sub | |
CYP3a4-inh | |
CYP3a4-sub |
CL | |
T12 |
hERG | |
Ames | |
ROA | |
SkinSen | |
Carcinogencity | |
EI | |
Respiratory | |
NR-Aromatase |
Antiviral | |
Prediction |