Chemoinformaics analysis of Galiridoside
Molecular Weight | 346.332 | nRot | 3 |
Heavy Atom Molecular Weight | 324.156 | nRig | 18 |
Exact Molecular Weight | 346.126 | nRing | 4 |
Solubility: LogS | -1.817 | nHRing | 3 |
Solubility: LogP | -0.739 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 46 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 24 | No. of Aromatic Carbocycles | 0 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 1 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 2 |
No. of Carbon atom | 15 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 9 | No. of Arom Bond | 0 |
nHA | 9 | APOL | 46.9374 |
nHD | 5 | BPOL | 29.0146 |
QED | 0.353 |
Synth | 5.176 |
Natural Product Likeliness | 3.492 |
NR-PPAR-gamma | 0.006 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.841 |
HIA | 0.666 |
CACO-2 | -5.816 |
MDCK | 0.0000933 |
BBB | 0.195 |
PPB | 0.186317 |
VDSS | 0.351 |
FU | 0.652465 |
CYP1A2-inh | 0.007 |
CYP1A2-sub | 0.758 |
CYP2c19-inh | 0.01 |
CYP2c19-sub | 0.203 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.031 |
CYP2d6-inh | 0.001 |
CYP2d6-sub | 0.087 |
CYP3a4-inh | 0.028 |
CYP3a4-sub | 0.046 |
CL | 1.245 |
T12 | 0.699 |
hERG | 0.051 |
Ames | 0.657 |
ROA | 0.512 |
SkinSen | 0.412 |
Carcinogencity | 0.962 |
EI | 0.176 |
Respiratory | 0.978 |
NR-Aromatase | 0.194 |
Antiviral | Yes |
Prediction | 0.792858 |