Chemoinformaics analysis of Oleamide
Molecular Weight | 281.484 | nRot | 15 |
Heavy Atom Molecular Weight | 246.204 | nRig | 2 |
Exact Molecular Weight | 281.272 | nRing | 0 |
Solubility: LogS | -5.44 | nHRing | 0 |
Solubility: LogP | 6.443 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 55 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 0 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 35 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 18 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 55.2998 |
nHD | 1 | BPOL | 35.4102 |
QED | 0.312 |
Synth | 2.103 |
Natural Product Likeliness | 0.57 |
NR-PPAR-gamma | 0.746 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.008 |
HIA | 0.003 |
CACO-2 | -4.754 |
MDCK | 0.0000205 |
BBB | 0.383 |
PPB | 0.977693 |
VDSS | 1.437 |
FU | 0.0142721 |
CYP1A2-inh | 0.518 |
CYP1A2-sub | 0.193 |
CYP2c19-inh | 0.415 |
CYP2c19-sub | 0.055 |
CYP2c9-inh | 0.266 |
CYP2c9-sub | 0.932 |
CYP2d6-inh | 0.072 |
CYP2d6-sub | 0.104 |
CYP3a4-inh | 0.383 |
CYP3a4-sub | 0.032 |
CL | 5.364 |
T12 | 0.103 |
hERG | 0.286 |
Ames | 0.007 |
ROA | 0.01 |
SkinSen | 0.955 |
Carcinogencity | 0.061 |
EI | 0.904 |
Respiratory | 0.111 |
NR-Aromatase | 0.1 |
Antiviral | Yes |
Prediction | 0.573174 |