Chemoinformaics analysis of Fisetinidol
Molecular Weight | 274.272 | nRot | 1 |
Heavy Atom Molecular Weight | 260.16 | nRig | 17 |
Exact Molecular Weight | 274.084 | nRing | 3 |
Solubility: LogS | -2.743 | nHRing | 1 |
Solubility: LogP | 1.978 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 34 | 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 | 14 | 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 | 38.3951 |
nHD | 4 | BPOL | 15.7809 |
QED | 0.596 |
Synth | 3.137 |
Natural Product Likeliness | 1.867 |
NR-PPAR-gamma | 0.031 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.005 |
Pgp-sub | 0.012 |
HIA | 0.017 |
CACO-2 | -5.323 |
MDCK | 0.00000571 |
BBB | 0.043 |
PPB | 0.917485 |
VDSS | 0.819 |
FU | 0.106286 |
CYP1A2-inh | 0.441 |
CYP1A2-sub | 0.225 |
CYP2c19-inh | 0.125 |
CYP2c19-sub | 0.061 |
CYP2c9-inh | 0.387 |
CYP2c9-sub | 0.889 |
CYP2d6-inh | 0.487 |
CYP2d6-sub | 0.713 |
CYP3a4-inh | 0.669 |
CYP3a4-sub | 0.235 |
CL | 18.469 |
T12 | 0.871 |
hERG | 0.02 |
Ames | 0.577 |
ROA | 0.569 |
SkinSen | 0.943 |
Carcinogencity | 0.707 |
EI | 0.927 |
Respiratory | 0.064 |
NR-Aromatase | 0.543 |
Antiviral | Yes |
Prediction | 0.741382 |