Chemoinformaics analysis of Dihydroxytetramethoxyflavone
Molecular Weight | 412.702 | nRot | 5 |
Heavy Atom Molecular Weight | 364.318 | nRig | 1 |
Exact Molecular Weight | 412.371 | nRing | 4 |
Solubility: LogS | -5.222 | nHRing | 0 |
Solubility: LogP | 5.499 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 78 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 30 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 48 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 29 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 81.2381 |
nHD | 1 | BPOL | 48.1539 |
QED | 0.433 |
Synth | 2.181 |
Natural Product Likeliness | 0.81 |
NR-PPAR-gamma | 0.128 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.08 |
Pgp-sub | 0.002 |
HIA | 0.007 |
CACO-2 | -4.582 |
MDCK | 0.0000142 |
BBB | 0.896 |
PPB | 0.972752 |
VDSS | 1.684 |
FU | 0.0077599 |
CYP1A2-inh | 0.888 |
CYP1A2-sub | 0.196 |
CYP2c19-inh | 0.821 |
CYP2c19-sub | 0.081 |
CYP2c9-inh | 0.447 |
CYP2c9-sub | 0.958 |
CYP2d6-inh | 0.05 |
CYP2d6-sub | 0.089 |
CYP3a4-inh | 0.274 |
CYP3a4-sub | 0.069 |
CL | 6.928 |
T12 | 0.332 |
hERG | 0.02 |
Ames | 0.011 |
ROA | 0.035 |
SkinSen | 0.954 |
Carcinogencity | 0.536 |
EI | 0.961 |
Respiratory | 0.907 |
NR-Aromatase | 0.183 |
Antiviral | No |
Prediction | 0.707251 |