Chemoinformaics analysis of Ginsenoyne K
Molecular Weight | 276.376 | nRot | 9 |
Heavy Atom Molecular Weight | 252.184 | nRig | 9 |
Exact Molecular Weight | 276.173 | nRing | 0 |
Solubility: LogS | -0.947 | nHRing | 0 |
Solubility: LogP | 1.531 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 44 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 17 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 3 | No. of Arom Bond | 0 |
nHA | 3 | APOL | 46.799 |
nHD | 2 | BPOL | 24.077 |
QED | 0.474 |
Synth | 2.936 |
Natural Product Likeliness | 0.349 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.123 |
HIA | 0.005 |
CACO-2 | -4.419 |
MDCK | 0.0000127 |
BBB | 0.945 |
PPB | 0.128345 |
VDSS | 2.444 |
FU | 0.766886 |
CYP1A2-inh | 0.037 |
CYP1A2-sub | 0.2 |
CYP2c19-inh | 0.021 |
CYP2c19-sub | 0.912 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.069 |
CYP2d6-inh | 0.894 |
CYP2d6-sub | 0.884 |
CYP3a4-inh | 0.002 |
CYP3a4-sub | 0.489 |
CL | 15.468 |
T12 | 0.492 |
hERG | 0.02 |
Ames | 0.032 |
ROA | 0.647 |
SkinSen | 0.46 |
Carcinogencity | 0.676 |
EI | 0.782 |
Respiratory | 0.965 |
NR-Aromatase | 0.003 |
Antiviral | Yes |
Prediction | 0.771267 |