Chemoinformaics analysis of P-HYDROXYPHENYLACETIC ACID
Molecular Weight | 152.149 | nRot | 2 |
Heavy Atom Molecular Weight | 144.085 | nRig | 7 |
Exact Molecular Weight | 152.047 | nRing | 1 |
Solubility: LogS | -0.201 | nHRing | 0 |
Solubility: LogP | 0.874 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 19 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 8 | 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 | 3 | No. of Arom Bond | 6 |
nHA | 2 | APOL | 21.1003 |
nHD | 2 | BPOL | 8.89366 |
QED | 0.665 |
Synth | 1.53 |
Natural Product Likeliness | 0.369 |
NR-PPAR-gamma | 0.949 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.007 |
HIA | 0.013 |
CACO-2 | -5.105 |
MDCK | 0.0000255 |
BBB | 0.104 |
PPB | 0.578279 |
VDSS | 0.237 |
FU | 0.369359 |
CYP1A2-inh | 0.028 |
CYP1A2-sub | 0.076 |
CYP2c19-inh | 0.035 |
CYP2c19-sub | 0.065 |
CYP2c9-inh | 0.03 |
CYP2c9-sub | 0.96 |
CYP2d6-inh | 0.01 |
CYP2d6-sub | 0.393 |
CYP3a4-inh | 0.014 |
CYP3a4-sub | 0.116 |
CL | 13.961 |
T12 | 0.916 |
hERG | 0.017 |
Ames | 0.09 |
ROA | 0.448 |
SkinSen | 0.374 |
Carcinogencity | 0.382 |
EI | 0.984 |
Respiratory | 0.044 |
NR-Aromatase | 0.006 |
Antiviral | No |
Prediction | 0.835355 |