Chemoinformaics analysis of Tricin 7-glucoside
Molecular Weight | 492.433 | nRot | 6 |
Heavy Atom Molecular Weight | 468.241 | nRig | 24 |
Exact Molecular Weight | 492.127 | nRing | 4 |
Solubility: LogS | -3.708 | nHRing | 2 |
Solubility: LogP | 0.873 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 59 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 35 | No. of Aromatic Carbocycles | 2 |
nHetero | 12 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 23 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 12 | No. of Arom Bond | 17 |
nHA | 12 | APOL | 64.037 |
nHD | 6 | BPOL | 33.625 |
QED | 0.272 |
Synth | 3.958 |
Natural Product Likeliness | 1.812 |
NR-PPAR-gamma | 0.955 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Accepted |
Pgp-inh | 0.009 |
Pgp-sub | 0.982 |
HIA | 0.877 |
CACO-2 | -6.086 |
MDCK | 0.0000508 |
BBB | 0.129 |
PPB | 0.727774 |
VDSS | 0.989 |
FU | 0.243492 |
CYP1A2-inh | 0.033 |
CYP1A2-sub | 0.481 |
CYP2c19-inh | 0.013 |
CYP2c19-sub | 0.131 |
CYP2c9-inh | 0.006 |
CYP2c9-sub | 0.362 |
CYP2d6-inh | 0.022 |
CYP2d6-sub | 0.297 |
CYP3a4-inh | 0.032 |
CYP3a4-sub | 0.032 |
CL | 3.825 |
T12 | 0.641 |
hERG | 0.058 |
Ames | 0.609 |
ROA | 0.021 |
SkinSen | 0.123 |
Carcinogencity | 0.076 |
EI | 0.01 |
Respiratory | 0.072 |
NR-Aromatase | 0.871 |
Antiviral | Yes |
Prediction | 0.887564 |