Chemoinformaics analysis of Ginsenoside Ra2
Molecular Weight | 1255.45 | nRot | 18 |
Heavy Atom Molecular Weight | 1152.63 | nRig | 51 |
Exact Molecular Weight | 1254.66 | nRing | 9 |
Solubility: LogS | -1.1 | nHRing | 5 |
Solubility: LogP | -0.959 | No. of Aliphatic Rings | 9 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 189 | No. of Aliphatic Hetero Cycles | 5 |
No. of Heavy Atom | 87 | No. of Aromatic Carbocycles | 0 |
nHetero | 27 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 102 | No. of Saturated Hetero Cycles | 5 |
No. of Carbon atom | 60 | No. of Saturated Rings | 9 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 27 | No. of Arom Bond | 0 |
nHA | 27 | APOL | 189.867 |
nHD | 17 | BPOL | 119.687 |
QED | 0.047 |
Synth | 7.337 |
Natural Product Likeliness | 1.889 |
NR-PPAR-gamma | 0.506 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.996 |
Pgp-sub | 0.042 |
HIA | 1 |
CACO-2 | -6.081 |
MDCK | 0.000641803 |
BBB | 0.141 |
PPB | 0.499171 |
VDSS | -0.595 |
FU | 0.126033 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0.018 |
CYP2c19-inh | 0 |
CYP2c19-sub | 0.048 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.037 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.051 |
CYP3a4-inh | 0.001 |
CYP3a4-sub | 0 |
CL | -0.273 |
T12 | 0.019 |
hERG | 0.016 |
Ames | 0.054 |
ROA | 0.141 |
SkinSen | 0.001 |
Carcinogencity | 0.005 |
EI | 0.001 |
Respiratory | 0.019 |
NR-Aromatase | 0.579 |
Antiviral | Yes |
Prediction | 0.866536 |