Chemoinformaics analysis of Phydroxybenzoic Acid
Molecular Weight | 160.104 | nRot | 1 |
Heavy Atom Molecular Weight | 155.064 | nRig | 7 |
Exact Molecular Weight | 160.014 | nRing | 1 |
Solubility: LogS | 0.438 | nHRing | 0 |
Solubility: LogP | -0.606 | No. of Aliphatic Rings | 0 |
Acid Count | 1 | No. of Aromatic Rings | 1 |
Base Count | 1 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 16 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 11 | No. of Aromatic Carbocycles | 1 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 5 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 7 | 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 | 3 | APOL | 41.54 |
nHD | 1 | BPOL | 6.75204 |
QED | 0.58 |
Synth | 2.455 |
Natural Product Likeliness | 0.179 |
NR-PPAR-gamma | 0.003 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0 |
HIA | 0.006 |
CACO-2 | -4.517 |
MDCK | 0.000027 |
BBB | 0.513 |
PPB | 0.662211 |
VDSS | 0.294 |
FU | 0.218754 |
CYP1A2-inh | 0.032 |
CYP1A2-sub | 0.064 |
CYP2c19-inh | 0.028 |
CYP2c19-sub | 0.057 |
CYP2c9-inh | 0.032 |
CYP2c9-sub | 0.535 |
CYP2d6-inh | 0.007 |
CYP2d6-sub | 0.11 |
CYP3a4-inh | 0.018 |
CYP3a4-sub | 0.103 |
CL | 5.5 |
T12 | 0.881 |
hERG | 0.041 |
Ames | 0.013 |
ROA | 0.667 |
SkinSen | 0.308 |
Carcinogencity | 0.268 |
EI | 0.992 |
Respiratory | 0.171 |
NR-Aromatase | 0.004 |
Antiviral | No |
Prediction | 0.685424 |