Chemoinformaics analysis of 5-hydroxy-3,6,7,3?,4?- pentamethoxy flavone
Molecular Weight | 388.372 | nRot | 6 |
Heavy Atom Molecular Weight | 368.212 | nRig | 18 |
Exact Molecular Weight | 388.116 | nRing | 3 |
Solubility: LogS | -4.397 | nHRing | 1 |
Solubility: LogP | 2.852 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 48 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 28 | No. of Aromatic Carbocycles | 2 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 20 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 20 | 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 | 53.1519 |
nHD | 1 | BPOL | 31.3481 |
QED | 0.688 |
Synth | 2.362 |
Natural Product Likeliness | 1.03 |
NR-PPAR-gamma | 0.808 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.999 |
Pgp-sub | 0.001 |
HIA | 0.011 |
CACO-2 | -4.643 |
MDCK | 0.0000358 |
BBB | 0.026 |
PPB | 0.738245 |
VDSS | 0.909 |
FU | 0.2667 |
CYP1A2-inh | 0.311 |
CYP1A2-sub | 0.986 |
CYP2c19-inh | 0.397 |
CYP2c19-sub | 0.846 |
CYP2c9-inh | 0.662 |
CYP2c9-sub | 0.892 |
CYP2d6-inh | 0.023 |
CYP2d6-sub | 0.904 |
CYP3a4-inh | 0.535 |
CYP3a4-sub | 0.616 |
CL | 5.035 |
T12 | 0.749 |
hERG | 0.149 |
Ames | 0.262 |
ROA | 0.278 |
SkinSen | 0.166 |
Carcinogencity | 0.033 |
EI | 0.078 |
Respiratory | 0.167 |
NR-Aromatase | 0.877 |
Antiviral | Yes |
Prediction | 0.964384 |