Chemoinformaics analysis of Galioside
Molecular Weight | 404.368 | nRot | 5 |
Heavy Atom Molecular Weight | 380.176 | nRig | 17 |
Exact Molecular Weight | 404.132 | nRing | 3 |
Solubility: LogS | -1.149 | nHRing | 2 |
Solubility: LogP | -0.511 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 52 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 28 | No. of Aromatic Carbocycles | 0 |
nHetero | 11 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 17 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 11 | No. of Arom Bond | 0 |
nHA | 11 | APOL | 53.215 |
nHD | 6 | BPOL | 31.889 |
QED | 0.2 |
Synth | 4.928 |
Natural Product Likeliness | 2.728 |
NR-PPAR-gamma | 0.002 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.077 |
HIA | 0.821 |
CACO-2 | -5.984 |
MDCK | 0.000131352 |
BBB | 0.215 |
PPB | 0.198256 |
VDSS | 0.359 |
FU | 0.537309 |
CYP1A2-inh | 0.017 |
CYP1A2-sub | 0.101 |
CYP2c19-inh | 0.013 |
CYP2c19-sub | 0.097 |
CYP2c9-inh | 0.002 |
CYP2c9-sub | 0.032 |
CYP2d6-inh | 0.004 |
CYP2d6-sub | 0.08 |
CYP3a4-inh | 0.02 |
CYP3a4-sub | 0.074 |
CL | 1.387 |
T12 | 0.851 |
hERG | 0.023 |
Ames | 0.098 |
ROA | 0.054 |
SkinSen | 0.107 |
Carcinogencity | 0.894 |
EI | 0.088 |
Respiratory | 0.918 |
NR-Aromatase | 0.008 |
Antiviral | Yes |
Prediction | 0.682831 |