Chemoinformaics analysis of 2-AMINOOXYPHENOL
Molecular Weight | 125.127 | nRot | 1 |
Heavy Atom Molecular Weight | 118.071 | nRig | 14 |
Exact Molecular Weight | 125.048 | nRing | 1 |
Solubility: LogS | -4.195 | nHRing | 0 |
Solubility: LogP | 2.528 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 16 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 9 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
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 | 2 | No. of Arom Bond | 6 |
nHA | 3 | APOL | 17.3916 |
nHD | 2 | BPOL | 7.04845 |
QED | 0.482 |
Synth | 2.381 |
Natural Product Likeliness | 0.775 |
NR-PPAR-gamma | 0.024 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.012 |
Pgp-sub | 0.027 |
HIA | 0.005 |
CACO-2 | -4.667 |
MDCK | 0.0000202 |
BBB | 0.036 |
PPB | 0.821402 |
VDSS | 0.705 |
FU | 0.0974883 |
CYP1A2-inh | 0.963 |
CYP1A2-sub | 0.955 |
CYP2c19-inh | 0.77 |
CYP2c19-sub | 0.306 |
CYP2c9-inh | 0.57 |
CYP2c9-sub | 0.861 |
CYP2d6-inh | 0.485 |
CYP2d6-sub | 0.861 |
CYP3a4-inh | 0.298 |
CYP3a4-sub | 0.446 |
CL | 10.658 |
T12 | 0.739 |
hERG | 0.09 |
Ames | 0.175 |
ROA | 0.079 |
SkinSen | 0.259 |
Carcinogencity | 0.791 |
EI | 0.972 |
Respiratory | 0.867 |
NR-Aromatase | 0.126 |
Antiviral | No |
Prediction | 0.89696 |