Chemoinformaics analysis of Goshonoside F6
Molecular Weight | 616.745 | nRot | 11 |
Heavy Atom Molecular Weight | 564.329 | nRig | 24 |
Exact Molecular Weight | 616.346 | nRing | 4 |
Solubility: LogS | -2.171 | nHRing | 2 |
Solubility: LogP | -0.333 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 95 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 43 | No. of Aromatic Carbocycles | 0 |
nHetero | 12 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 52 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 31 | No. of Saturated Rings | 4 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 12 | No. of Arom Bond | 0 |
nHA | 12 | APOL | 96.0672 |
nHD | 8 | BPOL | 59.1108 |
QED | 0.142 |
Synth | 5.315 |
Natural Product Likeliness | 2.558 |
NR-PPAR-gamma | 0.038 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.027 |
Pgp-sub | 0.098 |
HIA | 0.99 |
CACO-2 | -5.815 |
MDCK | 0.000238771 |
BBB | 0.296 |
PPB | 0.578513 |
VDSS | 0.432 |
FU | 0.394356 |
CYP1A2-inh | 0.001 |
CYP1A2-sub | 0.052 |
CYP2c19-inh | 0.001 |
CYP2c19-sub | 0.058 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.061 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.124 |
CYP3a4-inh | 0.006 |
CYP3a4-sub | 0.027 |
CL | 0.913 |
T12 | 0.195 |
hERG | 0.009 |
Ames | 0.12 |
ROA | 0.109 |
SkinSen | 0.017 |
Carcinogencity | 0.012 |
EI | 0.004 |
Respiratory | 0.17 |
NR-Aromatase | 0.5 |
Antiviral | Yes |
Prediction | 0.737324 |