Chemoinformaics analysis of EUROPINE
Molecular Weight | 329.393 | nRot | 6 |
Heavy Atom Molecular Weight | 302.177 | nRig | 10 |
Exact Molecular Weight | 329.184 | nRing | 2 |
Solubility: LogS | -1.371 | nHRing | 2 |
Solubility: LogP | 0.616 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 50 | No. of Aliphatic Hetero Cycles | 2 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 0 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 27 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 16 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 0 |
No. of Oxygen atom | 6 | No. of Arom Bond | 0 |
nHA | 7 | APOL | 50.6354 |
nHD | 3 | BPOL | 33.1366 |
QED | 0.444 |
Synth | 4.535 |
Natural Product Likeliness | 1.905 |
NR-PPAR-gamma | 0.004 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.03 |
HIA | 0.661 |
CACO-2 | -5.102 |
MDCK | 0.000387603 |
BBB | 0.342 |
PPB | 0.207726 |
VDSS | 0.552 |
FU | 0.798482 |
CYP1A2-inh | 0.009 |
CYP1A2-sub | 0.077 |
CYP2c19-inh | 0.01 |
CYP2c19-sub | 0.782 |
CYP2c9-inh | 0.002 |
CYP2c9-sub | 0.083 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.238 |
CYP3a4-inh | 0.004 |
CYP3a4-sub | 0.331 |
CL | 3.46 |
T12 | 0.357 |
hERG | 0.01 |
Ames | 0.675 |
ROA | 0.573 |
SkinSen | 0.046 |
Carcinogencity | 0.97 |
EI | 0.008 |
Respiratory | 0.955 |
NR-Aromatase | 0.009 |
Antiviral | Yes |
Prediction | 0.843272 |