Chemoinformaics analysis of Flavone
Molecular Weight | 222.243 | nRot | 1 |
Heavy Atom Molecular Weight | 212.163 | nRig | 18 |
Exact Molecular Weight | 222.068 | nRing | 3 |
Solubility: LogS | -4.864 | nHRing | 1 |
Solubility: LogP | 3.844 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 27 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 17 | No. of Aromatic Carbocycles | 2 |
nHetero | 2 | 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 | 2 | No. of Arom Bond | 17 |
nHA | 2 | APOL | 33.3219 |
nHD | 0 | BPOL | 12.6361 |
QED | 0.631 |
Synth | 1.647 |
Natural Product Likeliness | 0.289 |
NR-PPAR-gamma | 0.046 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.979 |
Pgp-sub | 0.151 |
HIA | 0.005 |
CACO-2 | -4.667 |
MDCK | 0.0000152 |
BBB | 0.062 |
PPB | 0.968977 |
VDSS | 0.834 |
FU | 0.0295575 |
CYP1A2-inh | 0.988 |
CYP1A2-sub | 0.529 |
CYP2c19-inh | 0.813 |
CYP2c19-sub | 0.088 |
CYP2c9-inh | 0.545 |
CYP2c9-sub | 0.859 |
CYP2d6-inh | 0.055 |
CYP2d6-sub | 0.757 |
CYP3a4-inh | 0.043 |
CYP3a4-sub | 0.205 |
CL | 3.135 |
T12 | 0.185 |
hERG | 0.142 |
Ames | 0.807 |
ROA | 0.439 |
SkinSen | 0.322 |
Carcinogencity | 0.781 |
EI | 0.971 |
Respiratory | 0.39 |
NR-Aromatase | 0.816 |
Antiviral | Yes |
Prediction | 0.675938 |