Chemoinformaics analysis of 5,3?-dibenzoyloxy-3,6,7,4- tetramethoxyflavone
Molecular Weight | 358.346 | nRot | 5 |
Heavy Atom Molecular Weight | 340.202 | nRig | 18 |
Exact Molecular Weight | 358.105 | nRing | 3 |
Solubility: LogS | -3.998 | nHRing | 1 |
Solubility: LogP | 2.941 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 44 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 2 |
nHetero | 7 | 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 | 7 | No. of Arom Bond | 17 |
nHA | 7 | APOL | 49.3463 |
nHD | 1 | BPOL | 27.6057 |
QED | 0.749 |
Synth | 2.341 |
Natural Product Likeliness | 1.081 |
NR-PPAR-gamma | 0.724 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.989 |
Pgp-sub | 0.001 |
HIA | 0.01 |
CACO-2 | -4.644 |
MDCK | 0.0000316 |
BBB | 0.04 |
PPB | 0.816707 |
VDSS | 0.76 |
FU | 0.201609 |
CYP1A2-inh | 0.624 |
CYP1A2-sub | 0.979 |
CYP2c19-inh | 0.651 |
CYP2c19-sub | 0.652 |
CYP2c9-inh | 0.699 |
CYP2c9-sub | 0.898 |
CYP2d6-inh | 0.095 |
CYP2d6-sub | 0.917 |
CYP3a4-inh | 0.642 |
CYP3a4-sub | 0.598 |
CL | 4.965 |
T12 | 0.566 |
hERG | 0.203 |
Ames | 0.343 |
ROA | 0.174 |
SkinSen | 0.521 |
Carcinogencity | 0.035 |
EI | 0.46 |
Respiratory | 0.406 |
NR-Aromatase | 0.847 |
Antiviral | Yes |
Prediction | 0.917704 |