Chemoinformaics analysis of Honokiol
Molecular Weight | 266.34 | nRot | 5 |
Heavy Atom Molecular Weight | 248.196 | nRig | 14 |
Exact Molecular Weight | 266.131 | nRing | 2 |
Solubility: LogS | -4.176 | nHRing | 0 |
Solubility: LogP | 4.87 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 38 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 2 |
nHetero | 2 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 18 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 2 | No. of Arom Bond | 12 |
nHA | 2 | APOL | 43.6663 |
nHD | 2 | BPOL | 18.0577 |
QED | 0.795 |
Synth | 2.442 |
Natural Product Likeliness | 0.879 |
NR-PPAR-gamma | 0.939 |
Lipinski | Accepted |
Pfizer | Rejected |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.863 |
Pgp-sub | 0 |
HIA | 0.006 |
CACO-2 | -4.644 |
MDCK | 0.0000269 |
BBB | 0.093 |
PPB | 1.01065 |
VDSS | 0.453 |
FU | 0.00692327 |
CYP1A2-inh | 0.97 |
CYP1A2-sub | 0.341 |
CYP2c19-inh | 0.84 |
CYP2c19-sub | 0.064 |
CYP2c9-inh | 0.622 |
CYP2c9-sub | 0.868 |
CYP2d6-inh | 0.955 |
CYP2d6-sub | 0.945 |
CYP3a4-inh | 0.597 |
CYP3a4-sub | 0.247 |
CL | 10.826 |
T12 | 0.709 |
hERG | 0.01 |
Ames | 0.273 |
ROA | 0.093 |
SkinSen | 0.945 |
Carcinogencity | 0.482 |
EI | 0.931 |
Respiratory | 0.066 |
NR-Aromatase | 0.581 |
Antiviral | No |
Prediction | 0.657314 |