Chemoinformaics analysis of Fukinolic-Acid
Molecular Weight | 434.353 | nRot | 8 |
Heavy Atom Molecular Weight | 416.209 | nRig | 16 |
Exact Molecular Weight | 434.085 | nRing | 2 |
Solubility: LogS | -2.169 | nHRing | 0 |
Solubility: LogP | 1.25 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 49 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 31 | No. of Aromatic Carbocycles | 2 |
nHetero | 11 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | 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 | 11 | No. of Arom Bond | 12 |
nHA | 9 | APOL | 54.2243 |
nHD | 7 | BPOL | 22.3977 |
QED | 0.174 |
Synth | 3.613 |
Natural Product Likeliness | 1.268 |
NR-PPAR-gamma | 0.48 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.014 |
HIA | 0.227 |
CACO-2 | -6.297 |
MDCK | 0.0000231 |
BBB | 0.047 |
PPB | 0.960864 |
VDSS | 0.371 |
FU | 0.0389075 |
CYP1A2-inh | 0.056 |
CYP1A2-sub | 0.027 |
CYP2c19-inh | 0.04 |
CYP2c19-sub | 0.034 |
CYP2c9-inh | 0.376 |
CYP2c9-sub | 0.362 |
CYP2d6-inh | 0.007 |
CYP2d6-sub | 0.137 |
CYP3a4-inh | 0.077 |
CYP3a4-sub | 0.011 |
CL | 4.589 |
T12 | 0.965 |
hERG | 0.006 |
Ames | 0.048 |
ROA | 0.081 |
SkinSen | 0.915 |
Carcinogencity | 0.058 |
EI | 0.556 |
Respiratory | 0.03 |
NR-Aromatase | 0.049 |
Antiviral | Yes |
Prediction | 0.776767 |