Chemoinformaics analysis of 3-METHOXY-PYRIDINE
Molecular Weight | 109.128 | nRot | 1 |
Heavy Atom Molecular Weight | 102.072 | nRig | 6 |
Exact Molecular Weight | 109.053 | nRing | 1 |
Solubility: LogS | 0.695 | nHRing | 1 |
Solubility: LogP | 0.896 | 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 | 2 | 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 | 6 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 6 |
No. of Oxygen atom | 1 | No. of Arom Bond | 6 |
nHA | 2 | APOL | 16.5896 |
nHD | 0 | BPOL | 9.89845 |
QED | 0.538 |
Synth | 1.596 |
Natural Product Likeliness | -1.207 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.002 |
HIA | 0.005 |
CACO-2 | -4.1 |
MDCK | 0.0000351 |
BBB | 0.839 |
PPB | 0.36536 |
VDSS | 1.329 |
FU | 0.499325 |
CYP1A2-inh | 0.808 |
CYP1A2-sub | 0.774 |
CYP2c19-inh | 0.468 |
CYP2c19-sub | 0.876 |
CYP2c9-inh | 0.041 |
CYP2c9-sub | 0.718 |
CYP2d6-inh | 0.177 |
CYP2d6-sub | 0.851 |
CYP3a4-inh | 0.233 |
CYP3a4-sub | 0.333 |
CL | 10.927 |
T12 | 0.822 |
hERG | 0.034 |
Ames | 0.02 |
ROA | 0.52 |
SkinSen | 0.934 |
Carcinogencity | 0.497 |
EI | 0.992 |
Respiratory | 0.721 |
NR-Aromatase | 0.028 |
Antiviral | No |
Prediction | 0.904349 |