Chemoinformaics analysis of Oleoside
Molecular Weight | 390.341 | nRot | 6 |
Heavy Atom Molecular Weight | 368.165 | nRig | 15 |
Exact Molecular Weight | 390.116 | nRing | 2 |
Solubility: LogS | -1.003 | nHRing | 2 |
Solubility: LogP | -1.099 | No. of Aliphatic Rings | 2 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 49 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 0 |
nHetero | 11 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 16 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 11 | No. of Arom Bond | 0 |
nHA | 9 | APOL | 50.2114 |
nHD | 6 | BPOL | 29.0146 |
QED | 0.28 |
Synth | 4.678 |
Natural Product Likeliness | 2.561 |
NR-PPAR-gamma | 0.007 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.991 |
HIA | 0.841 |
CACO-2 | -6.143 |
MDCK | 0.000150782 |
BBB | 0.218 |
PPB | 0.30649 |
VDSS | 0.26 |
FU | 0.446068 |
CYP1A2-inh | 0.011 |
CYP1A2-sub | 0.023 |
CYP2c19-inh | 0.025 |
CYP2c19-sub | 0.042 |
CYP2c9-inh | 0.004 |
CYP2c9-sub | 0.149 |
CYP2d6-inh | 0.05 |
CYP2d6-sub | 0.089 |
CYP3a4-inh | 0.013 |
CYP3a4-sub | 0.011 |
CL | 1.659 |
T12 | 0.876 |
hERG | 0.004 |
Ames | 0.892 |
ROA | 0.582 |
SkinSen | 0.451 |
Carcinogencity | 0.93 |
EI | 0.033 |
Respiratory | 0.972 |
NR-Aromatase | 0.005 |
Antiviral | Yes |
Prediction | 0.656421 |