Chemoinformaics analysis of 5,7-DIHYDROXY-8-METHOXY-3-(2,4,5-TRIMETHOXYPHENYL)CHROMEN-4-ONE
Molecular Weight | 374.345 | nRot | 5 |
Heavy Atom Molecular Weight | 356.201 | nRig | 18 |
Exact Molecular Weight | 374.1 | nRing | 3 |
Solubility: LogS | -3.734 | nHRing | 1 |
Solubility: LogP | 2.503 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 45 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 2 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 19 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 8 | No. of Arom Bond | 17 |
nHA | 8 | APOL | 50.1483 |
nHD | 2 | BPOL | 27.6057 |
QED | 0.702 |
Synth | 2.577 |
Natural Product Likeliness | 1.332 |
NR-PPAR-gamma | 0.846 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.08 |
Pgp-sub | 0.03 |
HIA | 0.033 |
CACO-2 | -4.815 |
MDCK | 0.0000197 |
BBB | 0.011 |
PPB | 0.818019 |
VDSS | 0.687 |
FU | 0.242927 |
CYP1A2-inh | 0.456 |
CYP1A2-sub | 0.977 |
CYP2c19-inh | 0.226 |
CYP2c19-sub | 0.137 |
CYP2c9-inh | 0.564 |
CYP2c9-sub | 0.859 |
CYP2d6-inh | 0.335 |
CYP2d6-sub | 0.796 |
CYP3a4-inh | 0.41 |
CYP3a4-sub | 0.362 |
CL | 8.871 |
T12 | 0.818 |
hERG | 0.045 |
Ames | 0.195 |
ROA | 0.386 |
SkinSen | 0.541 |
Carcinogencity | 0.03 |
EI | 0.219 |
Respiratory | 0.349 |
NR-Aromatase | 0.821 |
Antiviral | Yes |
Prediction | 0.931282 |