Chemoinformaics analysis of Dihydronorwogonin
Molecular Weight | 272.256 | nRot | 1 |
Heavy Atom Molecular Weight | 260.16 | nRig | 18 |
Exact Molecular Weight | 272.068 | nRing | 3 |
Solubility: LogS | -3.83 | nHRing | 1 |
Solubility: LogP | 2.719 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 32 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | 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 | 37.0615 |
nHD | 3 | BPOL | 14.6425 |
QED | 0.548 |
Synth | 2.906 |
Natural Product Likeliness | 1.73 |
NR-PPAR-gamma | 0.966 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.088 |
Pgp-sub | 0 |
HIA | 0.01 |
CACO-2 | -5.105 |
MDCK | 0.000013 |
BBB | 0.038 |
PPB | 0.969481 |
VDSS | 0.406 |
FU | 0.0256191 |
CYP1A2-inh | 0.79 |
CYP1A2-sub | 0.168 |
CYP2c19-inh | 0.446 |
CYP2c19-sub | 0.067 |
CYP2c9-inh | 0.828 |
CYP2c9-sub | 0.841 |
CYP2d6-inh | 0.711 |
CYP2d6-sub | 0.306 |
CYP3a4-inh | 0.43 |
CYP3a4-sub | 0.171 |
CL | 12.311 |
T12 | 0.76 |
hERG | 0.073 |
Ames | 0.212 |
ROA | 0.771 |
SkinSen | 0.941 |
Carcinogencity | 0.456 |
EI | 0.93 |
Respiratory | 0.371 |
NR-Aromatase | 0.136 |
Antiviral | Yes |
Prediction | 0.713036 |