Chemoinformaics analysis of euglobal T1
Molecular Weight | 386.488 | nRot | 5 |
Heavy Atom Molecular Weight | 356.248 | nRig | 7 |
Exact Molecular Weight | 386.209 | nRing | 3 |
Solubility: LogS | 0.822 | nHRing | 1 |
Solubility: LogP | -1.538 | No. of Aliphatic Rings | 2 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 1 |
Atoms Count | 58 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 28 | No. of Aromatic Carbocycles | 1 |
nHetero | 5 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 30 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 23 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 5 | No. of Arom Bond | 6 |
nHA | 5 | APOL | 62.4238 |
nHD | 2 | BPOL | 33.5682 |
QED | 0.446 |
Synth | 2.931 |
Natural Product Likeliness | -0.237 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.919 |
HIA | 0.033 |
CACO-2 | -4.934 |
MDCK | 0.00000334 |
BBB | 0.44 |
PPB | 0.216806 |
VDSS | 1.874 |
FU | 0.846374 |
CYP1A2-inh | 0.015 |
CYP1A2-sub | 0.103 |
CYP2c19-inh | 0.027 |
CYP2c19-sub | 0.497 |
CYP2c9-inh | 0.004 |
CYP2c9-sub | 0.522 |
CYP2d6-inh | 0.009 |
CYP2d6-sub | 0.675 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.147 |
CL | 4.686 |
T12 | 0.751 |
hERG | 0.015 |
Ames | 0.032 |
ROA | 0.037 |
SkinSen | 0.698 |
Carcinogencity | 0.054 |
EI | 0.941 |
Respiratory | 0.291 |
NR-Aromatase | 0.003 |
Antiviral | No |
Prediction | 0.700235 |