Chemoinformaics analysis of 2-METHOXY-4-METHYLPHENOL
Molecular Weight | 138.166 | nRot | 1 |
Heavy Atom Molecular Weight | 128.086 | nRig | 6 |
Exact Molecular Weight | 138.068 | nRing | 1 |
Solubility: LogS | -1.438 | nHRing | 0 |
Solubility: LogP | 1.853 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 20 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 10 | No. of Aromatic Carbocycles | 1 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 10 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 8 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 2 | No. of Arom Bond | 6 |
nHA | 2 | APOL | 21.6319 |
nHD | 1 | BPOL | 11.7681 |
QED | 0.64 |
Synth | 1.464 |
Natural Product Likeliness | 0.299 |
NR-PPAR-gamma | 0.007 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.741 |
HIA | 0.004 |
CACO-2 | -4.358 |
MDCK | 0.0000242 |
BBB | 0.512 |
PPB | 0.837795 |
VDSS | 1.007 |
FU | 0.114275 |
CYP1A2-inh | 0.913 |
CYP1A2-sub | 0.95 |
CYP2c19-inh | 0.513 |
CYP2c19-sub | 0.837 |
CYP2c9-inh | 0.134 |
CYP2c9-sub | 0.863 |
CYP2d6-inh | 0.428 |
CYP2d6-sub | 0.913 |
CYP3a4-inh | 0.063 |
CYP3a4-sub | 0.421 |
CL | 13.906 |
T12 | 0.885 |
hERG | 0.029 |
Ames | 0.049 |
ROA | 0.259 |
SkinSen | 0.731 |
Carcinogencity | 0.655 |
EI | 0.992 |
Respiratory | 0.465 |
NR-Aromatase | 0.014 |
Antiviral | No |
Prediction | 0.906072 |