Chemoinformaics analysis of GLYCOLIPIDS
Molecular Weight | 493.646 | nRot | 23 |
Heavy Atom Molecular Weight | 443.246 | nRig | 4 |
Exact Molecular Weight | 493.34 | nRing | 0 |
Solubility: LogS | -0.234 | nHRing | 0 |
Solubility: LogP | 2.287 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 83 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 33 | No. of Aromatic Carbocycles | 0 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 50 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 24 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 2 | No. of Arom Atom | 0 |
No. of Oxygen atom | 6 | No. of Arom Bond | 0 |
nHA | 5 | APOL | 84.0617 |
nHD | 3 | BPOL | 66.0583 |
QED | 0.07 |
Synth | 4.491 |
Natural Product Likeliness | 0.981 |
NR-PPAR-gamma | 0.007 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.079 |
HIA | 0.967 |
CACO-2 | -5.475 |
MDCK | 0.000013 |
BBB | 0.072 |
PPB | 0.747189 |
VDSS | 0.59 |
FU | 0.343917 |
CYP1A2-inh | 0.009 |
CYP1A2-sub | 0.692 |
CYP2c19-inh | 0.059 |
CYP2c19-sub | 0.054 |
CYP2c9-inh | 0.022 |
CYP2c9-sub | 0.91 |
CYP2d6-inh | 0.003 |
CYP2d6-sub | 0.656 |
CYP3a4-inh | 0.111 |
CYP3a4-sub | 0.017 |
CL | 2.561 |
T12 | 0.854 |
hERG | 0.029 |
Ames | 0.007 |
ROA | 0.024 |
SkinSen | 0.313 |
Carcinogencity | 0.126 |
EI | 0.018 |
Respiratory | 0.438 |
NR-Aromatase | 0.134 |
Antiviral | Yes |
Prediction | 0.77441 |