Chemoinformaics analysis of 5,7-DIHYDROXY-2-(4-HYDROXYPHENYL)-6,8-DIMETHOXYCHROMEN-4-ONE
Molecular Weight | 330.292 | nRot | 3 |
Heavy Atom Molecular Weight | 316.18 | nRig | 18 |
Exact Molecular Weight | 330.074 | nRing | 3 |
Solubility: LogS | -3.792 | nHRing | 1 |
Solubility: LogP | 2.925 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 38 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 2 |
nHetero | 7 | 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 | 7 | No. of Arom Bond | 17 |
nHA | 7 | APOL | 43.3391 |
nHD | 3 | BPOL | 20.1209 |
QED | 0.677 |
Synth | 2.532 |
Natural Product Likeliness | 1.425 |
NR-PPAR-gamma | 0.952 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.962 |
Pgp-sub | 0.002 |
HIA | 0.046 |
CACO-2 | -4.896 |
MDCK | 0.0000145 |
BBB | 0.004 |
PPB | 0.929427 |
VDSS | 0.688 |
FU | 0.136589 |
CYP1A2-inh | 0.897 |
CYP1A2-sub | 0.934 |
CYP2c19-inh | 0.22 |
CYP2c19-sub | 0.067 |
CYP2c9-inh | 0.775 |
CYP2c9-sub | 0.854 |
CYP2d6-inh | 0.393 |
CYP2d6-sub | 0.305 |
CYP3a4-inh | 0.348 |
CYP3a4-sub | 0.166 |
CL | 2.92 |
T12 | 0.864 |
hERG | 0.141 |
Ames | 0.495 |
ROA | 0.212 |
SkinSen | 0.701 |
Carcinogencity | 0.25 |
EI | 0.729 |
Respiratory | 0.095 |
NR-Aromatase | 0.907 |
Antiviral | Yes |
Prediction | 0.769765 |