Chemoinformaics analysis of Egenine
Molecular Weight | 369.373 | nRot | 1 |
Heavy Atom Molecular Weight | 350.221 | nRig | 29 |
Exact Molecular Weight | 369.121 | nRing | 6 |
Solubility: LogS | -3.269 | nHRing | 4 |
Solubility: LogP | 1.901 | No. of Aliphatic Rings | 4 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 46 | No. of Aliphatic Hetero Cycles | 4 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 2 |
nHetero | 7 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 19 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 20 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 12 |
No. of Oxygen atom | 6 | No. of Arom Bond | 12 |
nHA | 7 | APOL | 51.9811 |
nHD | 1 | BPOL | 29.4509 |
QED | 0.828 |
Synth | 3.936 |
Natural Product Likeliness | 1.505 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.028 |
Pgp-sub | 0.307 |
HIA | 0.001 |
CACO-2 | -4.916 |
MDCK | 0.0000328 |
BBB | 0.967 |
PPB | 0.921746 |
VDSS | 2.023 |
FU | 0.0799779 |
CYP1A2-inh | 0.359 |
CYP1A2-sub | 0.779 |
CYP2c19-inh | 0.858 |
CYP2c19-sub | 0.917 |
CYP2c9-inh | 0.075 |
CYP2c9-sub | 0.752 |
CYP2d6-inh | 0.968 |
CYP2d6-sub | 0.912 |
CYP3a4-inh | 0.948 |
CYP3a4-sub | 0.888 |
CL | 6.497 |
T12 | 0.259 |
hERG | 0.19 |
Ames | 0.935 |
ROA | 0.415 |
SkinSen | 0.37 |
Carcinogencity | 0.95 |
EI | 0.007 |
Respiratory | 0.84 |
NR-Aromatase | 0.028 |
Antiviral | Yes |
Prediction | 0.718969 |