Chemoinformaics analysis of 5-Ethoxythiazole
Molecular Weight | 129.184 | nRot | 2 |
Heavy Atom Molecular Weight | 122.128 | nRig | 5 |
Exact Molecular Weight | 129.025 | nRing | 1 |
Solubility: LogS | -0.432 | nHRing | 1 |
Solubility: LogP | 1.59 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 15 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 8 | No. of Aromatic Carbocycles | 0 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 7 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 5 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 5 |
No. of Oxygen atom | 1 | No. of Arom Bond | 5 |
nHA | 3 | APOL | 17.8196 |
nHD | 0 | BPOL | 12.3584 |
QED | 0.604 |
Synth | 3.066 |
Natural Product Likeliness | -1.23 |
NR-PPAR-gamma | 0.171 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.001 |
HIA | 0.002 |
CACO-2 | -4.125 |
MDCK | 0.0000444 |
BBB | 0.7 |
PPB | 0.511279 |
VDSS | 1.115 |
FU | 0.458982 |
CYP1A2-inh | 0.973 |
CYP1A2-sub | 0.923 |
CYP2c19-inh | 0.669 |
CYP2c19-sub | 0.752 |
CYP2c9-inh | 0.139 |
CYP2c9-sub | 0.303 |
CYP2d6-inh | 0.853 |
CYP2d6-sub | 0.17 |
CYP3a4-inh | 0.232 |
CYP3a4-sub | 0.559 |
CL | 10.277 |
T12 | 0.783 |
hERG | 0.019 |
Ames | 0.141 |
ROA | 0.336 |
SkinSen | 0.836 |
Carcinogencity | 0.485 |
EI | 0.933 |
Respiratory | 0.528 |
NR-Aromatase | 0.028 |
Antiviral | No |
Prediction | 0.958642 |