Chemoinformaics analysis of Ginsenoside RG4
Molecular Weight | 321.38 | nRot | 2 |
Heavy Atom Molecular Weight | 302.228 | nRig | 9 |
Exact Molecular Weight | 321.148 | nRing | 4 |
Solubility: LogS | -7.655 | nHRing | 2 |
Solubility: LogP | 16.469 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 43 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 2 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 19 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 19 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 3 | No. of Arom Atom | 16 |
No. of Oxygen atom | 2 | No. of Arom Bond | 17 |
nHA | 5 | APOL | 49.3031 |
nHD | 1 | BPOL | 24.4889 |
QED | 0.026 |
Synth | 3.395 |
Natural Product Likeliness | 0.477 |
NR-PPAR-gamma | 0.063 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.89 |
HIA | 0.04 |
CACO-2 | -4.669 |
MDCK | 0.0000113 |
BBB | 0.001 |
PPB | 1.15466 |
VDSS | 4.112 |
FU | 0.00712845 |
CYP1A2-inh | 0.022 |
CYP1A2-sub | 0.064 |
CYP2c19-inh | 0.083 |
CYP2c19-sub | 0.022 |
CYP2c9-inh | 0.04 |
CYP2c9-sub | 0.985 |
CYP2d6-inh | 0.004 |
CYP2d6-sub | 0.003 |
CYP3a4-inh | 0.169 |
CYP3a4-sub | 0.006 |
CL | 5.242 |
T12 | 0.01 |
hERG | 0.073 |
Ames | 0.143 |
ROA | 0 |
SkinSen | 0.999 |
Carcinogencity | 0.245 |
EI | 0.851 |
Respiratory | 0.146 |
NR-Aromatase | 0.127 |
Antiviral | Yes |
Prediction | 0.850871 |