Chemoinformaics analysis of Ethenol
Molecular Weight | 44.053 | nRot | 0 |
Heavy Atom Molecular Weight | 40.021 | nRig | 1 |
Exact Molecular Weight | 44.0262 | nRing | 0 |
Solubility: LogS | 1.064 | nHRing | 0 |
Solubility: LogP | -0.466 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 7 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 3 | No. of Aromatic Carbocycles | 0 |
nHetero | 1 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 4 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 2 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 1 | No. of Arom Bond | 0 |
nHA | 1 | APOL | 6.80917 |
nHD | 1 | BPOL | 4.01283 |
QED | 0.355 |
Synth | 3.041 |
Natural Product Likeliness | 0.957 |
NR-PPAR-gamma | 0.32 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.034 |
HIA | 0.006 |
CACO-2 | -4.25 |
MDCK | 0.000031 |
BBB | 0.951 |
PPB | 0.313671 |
VDSS | 1.149 |
FU | 0.771592 |
CYP1A2-inh | 0.173 |
CYP1A2-sub | 0.687 |
CYP2c19-inh | 0.033 |
CYP2c19-sub | 0.768 |
CYP2c9-inh | 0.005 |
CYP2c9-sub | 0.322 |
CYP2d6-inh | 0.009 |
CYP2d6-sub | 0.412 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.227 |
CL | 7.937 |
T12 | 0.757 |
hERG | 0.043 |
Ames | 0.066 |
ROA | 0.025 |
SkinSen | 0.939 |
Carcinogencity | 0.052 |
EI | 0.994 |
Respiratory | 0.091 |
NR-Aromatase | 0.882 |
Antiviral | No |
Prediction | 0.921098 |