Chemoinformaics analysis of PHOSPHATIDYL-SERINE
Molecular Weight | 792.089 | nRot | 42 |
Heavy Atom Molecular Weight | 709.433 | nRig | 5 |
Exact Molecular Weight | 791.568 | nRing | 0 |
Solubility: LogS | -2.32 | nHRing | 0 |
Solubility: LogP | 10.281 | No. of Aliphatic Rings | 0 |
Acid Count | 2 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 136 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 54 | No. of Aromatic Carbocycles | 0 |
nHetero | 12 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 82 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 42 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 10 | No. of Arom Bond | 0 |
nHA | 9 | APOL | 137.567 |
nHD | 3 | BPOL | 99.949 |
QED | 0.034 |
Synth | 4.065 |
Natural Product Likeliness | 0.365 |
NR-PPAR-gamma | 0.936 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.003 |
HIA | 0.041 |
CACO-2 | -5.305 |
MDCK | 0.00000659 |
BBB | 0.001 |
PPB | 0.993538 |
VDSS | 0.706 |
FU | 0.00684063 |
CYP1A2-inh | 0.02 |
CYP1A2-sub | 0.106 |
CYP2c19-inh | 0.201 |
CYP2c19-sub | 0.044 |
CYP2c9-inh | 0.036 |
CYP2c9-sub | 0.992 |
CYP2d6-inh | 0.086 |
CYP2d6-sub | 0.022 |
CYP3a4-inh | 0.211 |
CYP3a4-sub | 0.003 |
CL | 1.901 |
T12 | 0.137 |
hERG | 0.665 |
Ames | 0.005 |
ROA | 0.001 |
SkinSen | 0.974 |
Carcinogencity | 0.188 |
EI | 0.043 |
Respiratory | 0.272 |
NR-Aromatase | 0.128 |
Antiviral | Yes |
Prediction | 0.814327 |