Chemoinformaics analysis of 3-(4-HYDROXYPHENYL)PROPANAMIDE
Molecular Weight | 165.192 | nRot | 3 |
Heavy Atom Molecular Weight | 154.104 | nRig | 7 |
Exact Molecular Weight | 165.079 | nRing | 1 |
Solubility: LogS | -1.298 | nHRing | 0 |
Solubility: LogP | 0.187 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 23 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 12 | No. of Aromatic Carbocycles | 1 |
nHetero | 3 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 11 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 9 | 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 | 2 | APOL | 25.0687 |
nHD | 2 | BPOL | 11.3333 |
QED | 0.696 |
Synth | 1.626 |
Natural Product Likeliness | 0.161 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.98 |
HIA | 0.009 |
CACO-2 | -4.523 |
MDCK | 0.0000155 |
BBB | 0.961 |
PPB | 0.431726 |
VDSS | 0.629 |
FU | 0.54539 |
CYP1A2-inh | 0.343 |
CYP1A2-sub | 0.128 |
CYP2c19-inh | 0.109 |
CYP2c19-sub | 0.062 |
CYP2c9-inh | 0.043 |
CYP2c9-sub | 0.697 |
CYP2d6-inh | 0.139 |
CYP2d6-sub | 0.781 |
CYP3a4-inh | 0.032 |
CYP3a4-sub | 0.196 |
CL | 14.641 |
T12 | 0.567 |
hERG | 0.078 |
Ames | 0.183 |
ROA | 0.088 |
SkinSen | 0.559 |
Carcinogencity | 0.689 |
EI | 0.715 |
Respiratory | 0.021 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.887453 |