Chemoinformaics analysis of 8-Prenylnaringenin
Molecular Weight | 340.375 | nRot | 3 |
Heavy Atom Molecular Weight | 320.215 | nRig | 19 |
Exact Molecular Weight | 340.131 | nRing | 3 |
Solubility: LogS | -3.575 | nHRing | 1 |
Solubility: LogP | 4.807 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 45 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
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 | 12 |
No. of Oxygen atom | 5 | No. of Arom Bond | 12 |
nHA | 5 | APOL | 50.7459 |
nHD | 3 | BPOL | 22.6681 |
QED | 0.735 |
Synth | 3.209 |
Natural Product Likeliness | 2.2 |
NR-PPAR-gamma | 0.929 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.038 |
Pgp-sub | 0.07 |
HIA | 0.005 |
CACO-2 | -4.748 |
MDCK | 0.0000145 |
BBB | 0.022 |
PPB | 0.980249 |
VDSS | 0.681 |
FU | 0.0302398 |
CYP1A2-inh | 0.749 |
CYP1A2-sub | 0.43 |
CYP2c19-inh | 0.925 |
CYP2c19-sub | 0.064 |
CYP2c9-inh | 0.895 |
CYP2c9-sub | 0.956 |
CYP2d6-inh | 0.918 |
CYP2d6-sub | 0.578 |
CYP3a4-inh | 0.574 |
CYP3a4-sub | 0.16 |
CL | 18.915 |
T12 | 0.452 |
hERG | 0.045 |
Ames | 0.111 |
ROA | 0.799 |
SkinSen | 0.927 |
Carcinogencity | 0.413 |
EI | 0.886 |
Respiratory | 0.839 |
NR-Aromatase | 0.421 |
Antiviral | Yes |
Prediction | 0.789727 |