Chemoinformaics analysis of Fouquierol
Molecular Weight | 460.743 | nRot | 5 |
Heavy Atom Molecular Weight | 408.327 | nRig | 21 |
Exact Molecular Weight | 460.392 | nRing | 4 |
Solubility: LogS | -4.524 | nHRing | 0 |
Solubility: LogP | 5.234 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 85 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 33 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 52 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 30 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 87.1792 |
nHD | 3 | BPOL | 52.1668 |
QED | 0.41 |
Synth | 4.905 |
Natural Product Likeliness | 3.088 |
NR-PPAR-gamma | 0.043 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.771 |
Pgp-sub | 0 |
HIA | 0.004 |
CACO-2 | -4.929 |
MDCK | 0.0000268 |
BBB | 0.143 |
PPB | 0.909294 |
VDSS | 1.126 |
FU | 0.0540591 |
CYP1A2-inh | 0.021 |
CYP1A2-sub | 0.446 |
CYP2c19-inh | 0.051 |
CYP2c19-sub | 0.945 |
CYP2c9-inh | 0.191 |
CYP2c9-sub | 0.487 |
CYP2d6-inh | 0.008 |
CYP2d6-sub | 0.81 |
CYP3a4-inh | 0.261 |
CYP3a4-sub | 0.399 |
CL | 4.66 |
T12 | 0.109 |
hERG | 0.034 |
Ames | 0.001 |
ROA | 0.182 |
SkinSen | 0.611 |
Carcinogencity | 0.011 |
EI | 0.261 |
Respiratory | 0.958 |
NR-Aromatase | 0.078 |
Antiviral | No |
Prediction | 0.745186 |