Chemoinformaics analysis of Ginsenoside-L-A
Molecular Weight | 768.982 | nRot | 7 |
Heavy Atom Molecular Weight | 700.438 | nRig | 38 |
Exact Molecular Weight | 768.466 | nRing | 7 |
Solubility: LogS | -3.281 | nHRing | 3 |
Solubility: LogP | 2.778 | No. of Aliphatic Rings | 7 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 122 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 54 | No. of Aromatic Carbocycles | 0 |
nHetero | 13 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 68 | No. of Saturated Hetero Cycles | 3 |
No. of Carbon atom | 41 | No. of Saturated Rings | 7 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 13 | No. of Arom Bond | 0 |
nHA | 13 | APOL | 124.238 |
nHD | 8 | BPOL | 76.8981 |
QED | 0.138 |
Synth | 6.022 |
Natural Product Likeliness | 2.238 |
NR-PPAR-gamma | 0.128 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.989 |
Pgp-sub | 0.013 |
HIA | 0.966 |
CACO-2 | -5.201 |
MDCK | 0.000113654 |
BBB | 0.064 |
PPB | 0.847775 |
VDSS | 0.559 |
FU | 0.0689978 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0.105 |
CYP2c19-inh | 0.001 |
CYP2c19-sub | 0.786 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.075 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.14 |
CYP3a4-inh | 0.008 |
CYP3a4-sub | 0.06 |
CL | 0.783 |
T12 | 0.035 |
hERG | 0.018 |
Ames | 0.107 |
ROA | 0.486 |
SkinSen | 0.009 |
Carcinogencity | 0.007 |
EI | 0.002 |
Respiratory | 0.464 |
NR-Aromatase | 0.567 |
Antiviral | Yes |
Prediction | 0.850488 |