Chemoinformaics analysis of Matairesinol
Molecular Weight | 358.39 | nRot | 6 |
Heavy Atom Molecular Weight | 336.214 | nRig | 18 |
Exact Molecular Weight | 358.142 | nRing | 3 |
Solubility: LogS | -3.973 | nHRing | 1 |
Solubility: LogP | 2.803 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 48 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 2 |
nHetero | 6 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 22 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 20 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 12 |
No. of Oxygen atom | 6 | No. of Arom Bond | 12 |
nHA | 6 | APOL | 52.8814 |
nHD | 2 | BPOL | 28.1466 |
QED | 0.773 |
Synth | 3.141 |
Natural Product Likeliness | 1.381 |
NR-PPAR-gamma | 0.372 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.009 |
Pgp-sub | 0.001 |
HIA | 0.004 |
CACO-2 | -4.717 |
MDCK | 0.0000172 |
BBB | 0.052 |
PPB | 0.963784 |
VDSS | 0.596 |
FU | 0.035475 |
CYP1A2-inh | 0.864 |
CYP1A2-sub | 0.927 |
CYP2c19-inh | 0.857 |
CYP2c19-sub | 0.662 |
CYP2c9-inh | 0.833 |
CYP2c9-sub | 0.862 |
CYP2d6-inh | 0.744 |
CYP2d6-sub | 0.92 |
CYP3a4-inh | 0.897 |
CYP3a4-sub | 0.744 |
CL | 15.952 |
T12 | 0.885 |
hERG | 0.154 |
Ames | 0.075 |
ROA | 0.055 |
SkinSen | 0.882 |
Carcinogencity | 0.391 |
EI | 0.769 |
Respiratory | 0.155 |
NR-Aromatase | 0.731 |
Antiviral | Yes |
Prediction | 0.529225 |