Chemoinformaics analysis of 5,8-Dihydroxy-7-methoxyflavone
Molecular Weight | 284.267 | nRot | 2 |
Heavy Atom Molecular Weight | 272.171 | nRig | 18 |
Exact Molecular Weight | 284.068 | nRing | 3 |
Solubility: LogS | -3.775 | nHRing | 1 |
Solubility: LogP | 3.541 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 33 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 21 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | 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 | 5 | No. of Arom Bond | 17 |
nHA | 5 | APOL | 38.7315 |
nHD | 2 | BPOL | 16.3785 |
QED | 0.707 |
Synth | 2.225 |
Natural Product Likeliness | 1.341 |
NR-PPAR-gamma | 0.966 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.838 |
Pgp-sub | 0.015 |
HIA | 0.014 |
CACO-2 | -4.895 |
MDCK | 0.0000164 |
BBB | 0.018 |
PPB | 0.954376 |
VDSS | 0.621 |
FU | 0.0609945 |
CYP1A2-inh | 0.964 |
CYP1A2-sub | 0.879 |
CYP2c19-inh | 0.462 |
CYP2c19-sub | 0.073 |
CYP2c9-inh | 0.814 |
CYP2c9-sub | 0.816 |
CYP2d6-inh | 0.586 |
CYP2d6-sub | 0.418 |
CYP3a4-inh | 0.382 |
CYP3a4-sub | 0.148 |
CL | 4.526 |
T12 | 0.681 |
hERG | 0.028 |
Ames | 0.563 |
ROA | 0.136 |
SkinSen | 0.864 |
Carcinogencity | 0.343 |
EI | 0.787 |
Respiratory | 0.4 |
NR-Aromatase | 0.897 |
Antiviral | Yes |
Prediction | 0.799242 |