Chemoinformaics analysis of 5,7-DIHYDROXY-3,6,8-TRIMETHOXYFLAVONE
Molecular Weight | 344.319 | nRot | 4 |
Heavy Atom Molecular Weight | 328.191 | nRig | 18 |
Exact Molecular Weight | 344.09 | nRing | 3 |
Solubility: LogS | -4.191 | nHRing | 1 |
Solubility: LogP | 2.89 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 41 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 2 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 16 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 18 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 7 | No. of Arom Bond | 17 |
nHA | 7 | APOL | 46.3427 |
nHD | 2 | BPOL | 23.8633 |
QED | 0.751 |
Synth | 2.479 |
Natural Product Likeliness | 1.313 |
NR-PPAR-gamma | 0.819 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 1 |
Pgp-sub | 0 |
HIA | 0.023 |
CACO-2 | -4.867 |
MDCK | 0.0000223 |
BBB | 0.009 |
PPB | 0.866753 |
VDSS | 0.858 |
FU | 0.163058 |
CYP1A2-inh | 0.709 |
CYP1A2-sub | 0.969 |
CYP2c19-inh | 0.278 |
CYP2c19-sub | 0.455 |
CYP2c9-inh | 0.831 |
CYP2c9-sub | 0.805 |
CYP2d6-inh | 0.068 |
CYP2d6-sub | 0.246 |
CYP3a4-inh | 0.332 |
CYP3a4-sub | 0.226 |
CL | 1.77 |
T12 | 0.771 |
hERG | 0.099 |
Ames | 0.494 |
ROA | 0.498 |
SkinSen | 0.643 |
Carcinogencity | 0.132 |
EI | 0.678 |
Respiratory | 0.089 |
NR-Aromatase | 0.917 |
Antiviral | Yes |
Prediction | 0.844931 |