Chemoinformaics analysis of 7-Hydroxy-5,8-Dimethoxyflavone
Molecular Weight | 298.294 | nRot | 3 |
Heavy Atom Molecular Weight | 284.182 | nRig | 18 |
Exact Molecular Weight | 298.084 | nRing | 3 |
Solubility: LogS | -4.218 | nHRing | 1 |
Solubility: LogP | 3.426 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 36 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 22 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | 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 | 16 |
No. of Oxygen atom | 5 | No. of Arom Bond | 17 |
nHA | 5 | APOL | 41.7351 |
nHD | 1 | BPOL | 20.1209 |
QED | 0.804 |
Synth | 2.253 |
Natural Product Likeliness | 1.305 |
NR-PPAR-gamma | 0.806 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.988 |
Pgp-sub | 0.002 |
HIA | 0.01 |
CACO-2 | -4.763 |
MDCK | 0.0000208 |
BBB | 0.04 |
PPB | 0.911812 |
VDSS | 0.725 |
FU | 0.0951434 |
CYP1A2-inh | 0.958 |
CYP1A2-sub | 0.948 |
CYP2c19-inh | 0.832 |
CYP2c19-sub | 0.188 |
CYP2c9-inh | 0.815 |
CYP2c9-sub | 0.896 |
CYP2d6-inh | 0.529 |
CYP2d6-sub | 0.746 |
CYP3a4-inh | 0.588 |
CYP3a4-sub | 0.223 |
CL | 5.008 |
T12 | 0.544 |
hERG | 0.025 |
Ames | 0.667 |
ROA | 0.103 |
SkinSen | 0.547 |
Carcinogencity | 0.508 |
EI | 0.728 |
Respiratory | 0.486 |
NR-Aromatase | 0.869 |
Antiviral | Yes |
Prediction | 0.792037 |