Chemoinformaics analysis of Euonymine
Molecular Weight | 805.783 | nRot | 7 |
Heavy Atom Molecular Weight | 758.407 | nRig | 37 |
Exact Molecular Weight | 805.279 | nRing | 5 |
Solubility: LogS | -3.991 | nHRing | 3 |
Solubility: LogP | 1.323 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 2 |
Atoms Count | 104 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 57 | No. of Aromatic Carbocycles | 0 |
nHetero | 19 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 4 | No. Saturated Carbocycles | 2 |
No. of Hydrogen atom | 47 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 38 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 18 | No. of Arom Bond | 6 |
nHA | 19 | APOL | 110.335 |
nHD | 1 | BPOL | 70.8587 |
QED | 0.298 |
Synth | 7.593 |
Natural Product Likeliness | 1.799 |
NR-PPAR-gamma | 0.035 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 1 |
Pgp-sub | 0.151 |
HIA | 0.991 |
CACO-2 | -5.322 |
MDCK | 0.000221861 |
BBB | 0.071 |
PPB | 0.27804 |
VDSS | 0.877 |
FU | 0.38681 |
CYP1A2-inh | 0.008 |
CYP1A2-sub | 0.015 |
CYP2c19-inh | 0.011 |
CYP2c19-sub | 0.056 |
CYP2c9-inh | 0.007 |
CYP2c9-sub | 0.005 |
CYP2d6-inh | 0.933 |
CYP2d6-sub | 0.027 |
CYP3a4-inh | 0.384 |
CYP3a4-sub | 0.321 |
CL | 2.246 |
T12 | 0.017 |
hERG | 0.001 |
Ames | 0.023 |
ROA | 0.999 |
SkinSen | 0.007 |
Carcinogencity | 0.062 |
EI | 0.016 |
Respiratory | 0.011 |
NR-Aromatase | 0.088 |
Antiviral | Yes |
Prediction | 0.855794 |