Chemoinformaics analysis of Dimethoxyflavonone
Molecular Weight | 284.311 | nRot | 3 |
Heavy Atom Molecular Weight | 268.183 | nRig | 18 |
Exact Molecular Weight | 284.105 | nRing | 3 |
Solubility: LogS | -4.888 | nHRing | 1 |
Solubility: LogP | 2.936 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 37 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 17 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 4 | No. of Arom Bond | 12 |
nHA | 4 | APOL | 42.2667 |
nHD | 0 | BPOL | 22.1273 |
QED | 0.866 |
Synth | 2.542 |
Natural Product Likeliness | 1.072 |
NR-PPAR-gamma | 0.383 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.979 |
Pgp-sub | 0 |
HIA | 0.007 |
CACO-2 | -4.676 |
MDCK | 0.0000313 |
BBB | 0.555 |
PPB | 0.924947 |
VDSS | 0.75 |
FU | 0.0381961 |
CYP1A2-inh | 0.83 |
CYP1A2-sub | 0.895 |
CYP2c19-inh | 0.969 |
CYP2c19-sub | 0.79 |
CYP2c9-inh | 0.905 |
CYP2c9-sub | 0.882 |
CYP2d6-inh | 0.61 |
CYP2d6-sub | 0.9 |
CYP3a4-inh | 0.822 |
CYP3a4-sub | 0.498 |
CL | 8.703 |
T12 | 0.15 |
hERG | 0.065 |
Ames | 0.504 |
ROA | 0.312 |
SkinSen | 0.143 |
Carcinogencity | 0.463 |
EI | 0.743 |
Respiratory | 0.921 |
NR-Aromatase | 0.063 |
Antiviral | Yes |
Prediction | 0.780791 |