Chemoinformaics analysis of O-Phenylphenol
Molecular Weight | 170.211 | nRot | 1 |
Heavy Atom Molecular Weight | 160.131 | nRig | 12 |
Exact Molecular Weight | 170.073 | nRing | 2 |
Solubility: LogS | -2.777 | nHRing | 0 |
Solubility: LogP | 3.406 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 23 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 13 | No. of Aromatic Carbocycles | 2 |
nHetero | 1 | 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 | 12 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 1 | No. of Arom Bond | 12 |
nHA | 1 | APOL | 27.5099 |
nHD | 1 | BPOL | 10.0321 |
QED | 0.697 |
Synth | 1.315 |
Natural Product Likeliness | 0.245 |
NR-PPAR-gamma | 0.465 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.004 |
Pgp-sub | 0.033 |
HIA | 0.005 |
CACO-2 | -4.407 |
MDCK | 0.0000232 |
BBB | 0.538 |
PPB | 0.969579 |
VDSS | 0.854 |
FU | 0.0336738 |
CYP1A2-inh | 0.988 |
CYP1A2-sub | 0.306 |
CYP2c19-inh | 0.835 |
CYP2c19-sub | 0.075 |
CYP2c9-inh | 0.357 |
CYP2c9-sub | 0.49 |
CYP2d6-inh | 0.377 |
CYP2d6-sub | 0.681 |
CYP3a4-inh | 0.064 |
CYP3a4-sub | 0.231 |
CL | 10.073 |
T12 | 0.674 |
hERG | 0.029 |
Ames | 0.357 |
ROA | 0.206 |
SkinSen | 0.688 |
Carcinogencity | 0.683 |
EI | 0.991 |
Respiratory | 0.184 |
NR-Aromatase | 0.059 |
Antiviral | No |
Prediction | 0.64998 |