Chemoinformaics analysis of Eleutheroside-L
Molecular Weight | 1205.39 | nRot | 12 |
Heavy Atom Molecular Weight | 1108.62 | nRig | 57 |
Exact Molecular Weight | 1204.62 | nRing | 10 |
Solubility: LogS | -2.269 | nHRing | 5 |
Solubility: LogP | 0.81 | No. of Aliphatic Rings | 10 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 5 |
Atoms Count | 180 | No. of Aliphatic Hetero Cycles | 5 |
No. of Heavy Atom | 84 | No. of Aromatic Carbocycles | 0 |
nHetero | 25 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 96 | No. of Saturated Hetero Cycles | 5 |
No. of Carbon atom | 59 | No. of Saturated Rings | 9 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 25 | No. of Arom Bond | 0 |
nHA | 25 | APOL | 182.592 |
nHD | 14 | BPOL | 114.536 |
QED | 0.06 |
Synth | 7.175 |
Natural Product Likeliness | 2.169 |
NR-PPAR-gamma | 0.816 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.989 |
Pgp-sub | 0.018 |
HIA | 0.999 |
CACO-2 | -5.891 |
MDCK | 0.000328438 |
BBB | 0.07 |
PPB | 0.724391 |
VDSS | -0.276 |
FU | 0.126714 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0.045 |
CYP2c19-inh | 0 |
CYP2c19-sub | 0.064 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.039 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.083 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.003 |
CL | -0.02 |
T12 | 0.006 |
hERG | 0.001 |
Ames | 0.085 |
ROA | 0.32 |
SkinSen | 0 |
Carcinogencity | 0.018 |
EI | 0.001 |
Respiratory | 0.017 |
NR-Aromatase | 0.638 |
Antiviral | Yes |
Prediction | 0.855094 |