Chemoinformaics analysis of phosphatidylethanolamine
Molecular Weight | 299.216 | nRot | 9 |
Heavy Atom Molecular Weight | 281.072 | nRig | 4 |
Exact Molecular Weight | 299.077 | nRing | 0 |
Solubility: LogS | 0.125 | nHRing | 0 |
Solubility: LogP | -1.94 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 37 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 0 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 9 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 8 | No. of Arom Bond | 0 |
nHA | 8 | APOL | 38.1783 |
nHD | 2 | BPOL | 34.8757 |
QED | 0.452 |
Synth | 4.33 |
Natural Product Likeliness | 0.998 |
NR-PPAR-gamma | 0.017 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.006 |
HIA | 0.342 |
CACO-2 | -5.778 |
MDCK | 0.000772 |
BBB | 0.38 |
PPB | 0.0962945 |
VDSS | 0.625 |
FU | 0.904121 |
CYP1A2-inh | 0.004 |
CYP1A2-sub | 0.058 |
CYP2c19-inh | 0.018 |
CYP2c19-sub | 0.05 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.086 |
CYP2d6-inh | 0.087 |
CYP2d6-sub | 0.149 |
CYP3a4-inh | 0.014 |
CYP3a4-sub | 0.114 |
CL | 2.055 |
T12 | 0.802 |
hERG | 0.024 |
Ames | 0.877 |
ROA | 0.002 |
SkinSen | 0.738 |
Carcinogencity | 0.491 |
EI | 0.104 |
Respiratory | 0.11 |
NR-Aromatase | 0.001 |
Antiviral | No |
Prediction | 0.733666 |