Chemoinformaics analysis of pseudo ginsenoside f 11
Molecular Weight | 801.024 | nRot | 7 |
Heavy Atom Molecular Weight | 728.448 | nRig | 37 |
Exact Molecular Weight | 800.492 | nRing | 7 |
Solubility: LogS | -3.314 | nHRing | 3 |
Solubility: LogP | 3.271 | No. of Aliphatic Rings | 7 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 4 |
Atoms Count | 128 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 56 | No. of Aromatic Carbocycles | 0 |
nHetero | 14 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 4 |
No. of Hydrogen atom | 72 | No. of Saturated Hetero Cycles | 3 |
No. of Carbon atom | 42 | No. of Saturated Rings | 7 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 14 | No. of Arom Bond | 0 |
nHA | 14 | APOL | 129.377 |
nHD | 9 | BPOL | 80.9109 |
QED | 0.166 |
Synth | 6.084 |
Natural Product Likeliness | 3.053 |
NR-PPAR-gamma | 0.048 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.99 |
Pgp-sub | 0.229 |
HIA | 0.406 |
CACO-2 | -5.588 |
MDCK | 0.0000701 |
BBB | 0.021 |
PPB | 0.566488 |
VDSS | 0.243 |
FU | 0.122064 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0.186 |
CYP2c19-inh | 0.001 |
CYP2c19-sub | 0.694 |
CYP2c9-inh | 0.003 |
CYP2c9-sub | 0.025 |
CYP2d6-inh | 0.002 |
CYP2d6-sub | 0.079 |
CYP3a4-inh | 0.067 |
CYP3a4-sub | 0.079 |
CL | 0.752 |
T12 | 0.654 |
hERG | 0.175 |
Ames | 0.057 |
ROA | 0.15 |
SkinSen | 0.729 |
Carcinogencity | 0.005 |
EI | 0.009 |
Respiratory | 0.974 |
NR-Aromatase | 0.628 |
Antiviral | Yes |
Prediction | 0.843799 |