Chemoinformaics analysis of trans-Zeatin glucoside
Molecular Weight | 381.389 | nRot | 6 |
Heavy Atom Molecular Weight | 358.205 | nRig | 18 |
Exact Molecular Weight | 381.165 | nRing | 3 |
Solubility: LogS | -1.593 | nHRing | 3 |
Solubility: LogP | -1.128 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 2 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 50 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 27 | No. of Aromatic Carbocycles | 0 |
nHetero | 11 | No. of Aromatic Hetero Cycles | 2 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 23 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 16 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 5 | No. of Arom Atom | 9 |
No. of Oxygen atom | 6 | No. of Arom Bond | 10 |
nHA | 11 | APOL | 52.3682 |
nHD | 6 | BPOL | 30.5098 |
QED | 0.311 |
Synth | 4.663 |
Natural Product Likeliness | 1.563 |
NR-PPAR-gamma | 0.009 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.002 |
Pgp-sub | 0.99 |
HIA | 0.981 |
CACO-2 | -5.719 |
MDCK | 0.00000765 |
BBB | 0.456 |
PPB | 0.35928 |
VDSS | 0.645 |
FU | 0.695962 |
CYP1A2-inh | 0.032 |
CYP1A2-sub | 0.119 |
CYP2c19-inh | 0.019 |
CYP2c19-sub | 0.057 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.175 |
CYP2d6-inh | 0.012 |
CYP2d6-sub | 0.037 |
CYP3a4-inh | 0.017 |
CYP3a4-sub | 0.061 |
CL | 4.51 |
T12 | 0.928 |
hERG | 0.024 |
Ames | 0.075 |
ROA | 0.336 |
SkinSen | 0.125 |
Carcinogencity | 0.045 |
EI | 0.019 |
Respiratory | 0.387 |
NR-Aromatase | 0.904 |
Antiviral | No |
Prediction | 0.538199 |