Chemoinformaics analysis of PHLOROGLUCINOL
Molecular Weight | 126.111 | nRot | 0 |
Heavy Atom Molecular Weight | 120.063 | nRig | 6 |
Exact Molecular Weight | 126.032 | nRing | 1 |
Solubility: LogS | -0.185 | nHRing | 0 |
Solubility: LogP | 0.313 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 15 | 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 | 6 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 6 | 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 | 16.4268 |
nHD | 3 | BPOL | 6.01924 |
QED | 0.482 |
Synth | 2.093 |
Natural Product Likeliness | 0.771 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Rejected |
Pgp-inh | 0.011 |
Pgp-sub | 0.068 |
HIA | 0.015 |
CACO-2 | -4.791 |
MDCK | 0.00000951 |
BBB | 0.043 |
PPB | 0.507394 |
VDSS | 0.862 |
FU | 0.521682 |
CYP1A2-inh | 0.626 |
CYP1A2-sub | 0.269 |
CYP2c19-inh | 0.075 |
CYP2c19-sub | 0.055 |
CYP2c9-inh | 0.052 |
CYP2c9-sub | 0.924 |
CYP2d6-inh | 0.369 |
CYP2d6-sub | 0.674 |
CYP3a4-inh | 0.542 |
CYP3a4-sub | 0.094 |
CL | 14.917 |
T12 | 0.917 |
hERG | 0.034 |
Ames | 0.113 |
ROA | 0.232 |
SkinSen | 0.937 |
Carcinogencity | 0.041 |
EI | 0.932 |
Respiratory | 0.279 |
NR-Aromatase | 0.009 |
Antiviral | No |
Prediction | 0.89746 |