Chemoinformaics analysis of FLAVONOL GLYCOSIDE
Molecular Weight | 400.383 | nRot | 4 |
Heavy Atom Molecular Weight | 380.223 | nRig | 24 |
Exact Molecular Weight | 400.116 | nRing | 4 |
Solubility: LogS | -3.693 | nHRing | 2 |
Solubility: LogP | 1.531 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 49 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 29 | No. of Aromatic Carbocycles | 2 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 21 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 8 | No. of Arom Bond | 17 |
nHA | 8 | APOL | 54.8219 |
nHD | 4 | BPOL | 26.1401 |
QED | 0.502 |
Synth | 3.483 |
Natural Product Likeliness | 1.509 |
NR-PPAR-gamma | 0.272 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.61 |
Pgp-sub | 0.01 |
HIA | 0.057 |
CACO-2 | -5.446 |
MDCK | 0.0000224 |
BBB | 0.125 |
PPB | 0.883909 |
VDSS | 1.126 |
FU | 0.0676058 |
CYP1A2-inh | 0.232 |
CYP1A2-sub | 0.053 |
CYP2c19-inh | 0.021 |
CYP2c19-sub | 0.086 |
CYP2c9-inh | 0.036 |
CYP2c9-sub | 0.289 |
CYP2d6-inh | 0.009 |
CYP2d6-sub | 0.203 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.076 |
CL | 1.908 |
T12 | 0.683 |
hERG | 0.049 |
Ames | 0.706 |
ROA | 0.03 |
SkinSen | 0.078 |
Carcinogencity | 0.302 |
EI | 0.043 |
Respiratory | 0.019 |
NR-Aromatase | 0.861 |
Antiviral | Yes |
Prediction | 0.817926 |