Chemoinformaics analysis of Kaempferol-3-0-(3-0- acetyl- ?-L-rhamnopyra-noside)
Molecular Weight | 474.418 | nRot | 4 |
Heavy Atom Molecular Weight | 452.242 | nRig | 25 |
Exact Molecular Weight | 474.116 | nRing | 4 |
Solubility: LogS | -4.218 | nHRing | 2 |
Solubility: LogP | 1.763 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 56 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 34 | No. of Aromatic Carbocycles | 2 |
nHetero | 11 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 23 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 11 | No. of Arom Bond | 17 |
nHA | 11 | APOL | 61.9014 |
nHD | 5 | BPOL | 30.7506 |
QED | 0.345 |
Synth | 4.001 |
Natural Product Likeliness | 2.14 |
NR-PPAR-gamma | 0.946 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.026 |
Pgp-sub | 0.21 |
HIA | 0.192 |
CACO-2 | -5.87 |
MDCK | 0.0000176 |
BBB | 0.015 |
PPB | 0.887767 |
VDSS | 0.921 |
FU | 0.138651 |
CYP1A2-inh | 0.118 |
CYP1A2-sub | 0.068 |
CYP2c19-inh | 0.034 |
CYP2c19-sub | 0.055 |
CYP2c9-inh | 0.091 |
CYP2c9-sub | 0.783 |
CYP2d6-inh | 0.475 |
CYP2d6-sub | 0.174 |
CYP3a4-inh | 0.287 |
CYP3a4-sub | 0.051 |
CL | 2.629 |
T12 | 0.813 |
hERG | 0.018 |
Ames | 0.709 |
ROA | 0.057 |
SkinSen | 0.047 |
Carcinogencity | 0.182 |
EI | 0.05 |
Respiratory | 0.038 |
NR-Aromatase | 0.939 |
Antiviral | Yes |
Prediction | 0.947031 |