Chemoinformaics analysis of GLYCERYL-MONO-OLEATE
Molecular Weight | 356.547 | nRot | 18 |
Heavy Atom Molecular Weight | 316.227 | nRig | 2 |
Exact Molecular Weight | 356.293 | nRing | 0 |
Solubility: LogS | -4.572 | nHRing | 0 |
Solubility: LogP | 6.43 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 65 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 0 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 40 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 21 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 4 | No. of Arom Bond | 0 |
nHA | 4 | APOL | 64.9497 |
nHD | 2 | BPOL | 42.7323 |
QED | 0.208 |
Synth | 2.766 |
Natural Product Likeliness | 1.068 |
NR-PPAR-gamma | 0.8 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.004 |
Pgp-sub | 0.959 |
HIA | 0.015 |
CACO-2 | -4.746 |
MDCK | 0.0000332 |
BBB | 0.076 |
PPB | 0.971934 |
VDSS | 0.766 |
FU | 0.0187703 |
CYP1A2-inh | 0.537 |
CYP1A2-sub | 0.155 |
CYP2c19-inh | 0.28 |
CYP2c19-sub | 0.054 |
CYP2c9-inh | 0.374 |
CYP2c9-sub | 0.914 |
CYP2d6-inh | 0.019 |
CYP2d6-sub | 0.064 |
CYP3a4-inh | 0.587 |
CYP3a4-sub | 0.058 |
CL | 9.062 |
T12 | 0.6 |
hERG | 0.184 |
Ames | 0.017 |
ROA | 0.013 |
SkinSen | 0.953 |
Carcinogencity | 0.152 |
EI | 0.114 |
Respiratory | 0.197 |
NR-Aromatase | 0.621 |
Antiviral | Yes |
Prediction | 0.79371 |