Chemoinformaics analysis of FISETINIDIN
Molecular Weight | 271.248 | nRot | 1 |
Heavy Atom Molecular Weight | 260.16 | nRig | 17 |
Exact Molecular Weight | 271.06 | nRing | 3 |
Solubility: LogS | -3.498 | nHRing | 1 |
Solubility: LogP | 3.273 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 31 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 11 | 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 | 16 |
No. of Oxygen atom | 5 | No. of Arom Bond | 17 |
nHA | 4 | APOL | 36.3947 |
nHD | 4 | BPOL | 12.7713 |
QED | 0.403 |
Synth | 2.956 |
Natural Product Likeliness | 1.55 |
NR-PPAR-gamma | 0.827 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.011 |
Pgp-sub | 0.021 |
HIA | 0.014 |
CACO-2 | -4.959 |
MDCK | 0.0000101 |
BBB | 0.011 |
PPB | 0.977386 |
VDSS | 0.64 |
FU | 0.0319391 |
CYP1A2-inh | 0.817 |
CYP1A2-sub | 0.188 |
CYP2c19-inh | 0.065 |
CYP2c19-sub | 0.05 |
CYP2c9-inh | 0.172 |
CYP2c9-sub | 0.686 |
CYP2d6-inh | 0.401 |
CYP2d6-sub | 0.398 |
CYP3a4-inh | 0.3 |
CYP3a4-sub | 0.098 |
CL | 15.036 |
T12 | 0.917 |
hERG | 0.031 |
Ames | 0.569 |
ROA | 0.207 |
SkinSen | 0.926 |
Carcinogencity | 0.195 |
EI | 0.947 |
Respiratory | 0.203 |
NR-Aromatase | 0.936 |
Antiviral | Yes |
Prediction | 0.781617 |