Chemoinformaics analysis of Rhamnetin
Molecular Weight | 316.265 | nRot | 2 |
Heavy Atom Molecular Weight | 304.169 | nRig | 18 |
Exact Molecular Weight | 316.058 | nRing | 3 |
Solubility: LogS | -3.712 | nHRing | 1 |
Solubility: LogP | 2.883 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 35 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 2 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 16 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 7 | No. of Arom Bond | 17 |
nHA | 7 | APOL | 40.3355 |
nHD | 4 | BPOL | 16.3785 |
QED | 0.535 |
Synth | 2.456 |
Natural Product Likeliness | 1.44 |
NR-PPAR-gamma | 0.97 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.032 |
Pgp-sub | 0.013 |
HIA | 0.02 |
CACO-2 | -5.109 |
MDCK | 0.00000931 |
BBB | 0.005 |
PPB | 0.963008 |
VDSS | 0.611 |
FU | 0.0811179 |
CYP1A2-inh | 0.949 |
CYP1A2-sub | 0.673 |
CYP2c19-inh | 0.084 |
CYP2c19-sub | 0.049 |
CYP2c9-inh | 0.628 |
CYP2c9-sub | 0.765 |
CYP2d6-inh | 0.482 |
CYP2d6-sub | 0.307 |
CYP3a4-inh | 0.284 |
CYP3a4-sub | 0.085 |
CL | 6.991 |
T12 | 0.912 |
hERG | 0.067 |
Ames | 0.693 |
ROA | 0.085 |
SkinSen | 0.874 |
Carcinogencity | 0.058 |
EI | 0.928 |
Respiratory | 0.111 |
NR-Aromatase | 0.906 |
Antiviral | Yes |
Prediction | 0.788293 |