Chemoinformaics analysis of Ginsenoside-F5
Molecular Weight | 259.349 | nRot | 0 |
Heavy Atom Molecular Weight | 238.181 | nRig | 21 |
Exact Molecular Weight | 259.157 | nRing | 4 |
Solubility: LogS | -2.223 | nHRing | 3 |
Solubility: LogP | 1.859 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 40 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 21 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 16 | No. of Saturated Rings | 2 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 2 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 43.4267 |
nHD | 0 | BPOL | 25.3813 |
QED | 0.667 |
Synth | 4.57 |
Natural Product Likeliness | 1.576 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.005 |
HIA | 0.102 |
CACO-2 | -4.715 |
MDCK | 0.0000203 |
BBB | 0.984 |
PPB | 0.481828 |
VDSS | 2.573 |
FU | 0.527643 |
CYP1A2-inh | 0.015 |
CYP1A2-sub | 0.068 |
CYP2c19-inh | 0.02 |
CYP2c19-sub | 0.908 |
CYP2c9-inh | 0.003 |
CYP2c9-sub | 0.071 |
CYP2d6-inh | 0.402 |
CYP2d6-sub | 0.834 |
CYP3a4-inh | 0.035 |
CYP3a4-sub | 0.774 |
CL | 16.754 |
T12 | 0.316 |
hERG | 0.165 |
Ames | 0.046 |
ROA | 0.919 |
SkinSen | 0.745 |
Carcinogencity | 0.172 |
EI | 0.014 |
Respiratory | 0.845 |
NR-Aromatase | 0.002 |
Antiviral | Yes |
Prediction | 0.61407 |