Chemoinformaics analysis of Liquiritigenin
Molecular Weight | 256.257 | nRot | 1 |
Heavy Atom Molecular Weight | 244.161 | nRig | 18 |
Exact Molecular Weight | 256.074 | nRing | 3 |
Solubility: LogS | -3.892 | nHRing | 1 |
Solubility: LogP | 2.5 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 31 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 19 | No. of Aromatic Carbocycles | 2 |
nHetero | 4 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 12 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 15 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 4 | No. of Arom Bond | 12 |
nHA | 4 | APOL | 36.2595 |
nHD | 2 | BPOL | 14.6425 |
QED | 0.823 |
Synth | 2.657 |
Natural Product Likeliness | 1.366 |
NR-PPAR-gamma | 0.553 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.007 |
Pgp-sub | 0.001 |
HIA | 0.012 |
CACO-2 | -4.627 |
MDCK | 0.00000993 |
BBB | 0.078 |
PPB | 0.918673 |
VDSS | 0.445 |
FU | 0.0627425 |
CYP1A2-inh | 0.867 |
CYP1A2-sub | 0.196 |
CYP2c19-inh | 0.927 |
CYP2c19-sub | 0.065 |
CYP2c9-inh | 0.823 |
CYP2c9-sub | 0.958 |
CYP2d6-inh | 0.775 |
CYP2d6-sub | 0.882 |
CYP3a4-inh | 0.768 |
CYP3a4-sub | 0.207 |
CL | 17.718 |
T12 | 0.793 |
hERG | 0.034 |
Ames | 0.582 |
ROA | 0.319 |
SkinSen | 0.73 |
Carcinogencity | 0.777 |
EI | 0.937 |
Respiratory | 0.164 |
NR-Aromatase | 0.22 |
Antiviral | No |
Prediction | 0.746516 |