Chemoinformaics analysis of SYRINGETIN
Molecular Weight | 346.291 | nRot | 3 |
Heavy Atom Molecular Weight | 332.179 | nRig | 18 |
Exact Molecular Weight | 346.069 | nRing | 3 |
Solubility: LogS | -3.817 | nHRing | 1 |
Solubility: LogP | 2.463 | No. of Aliphatic Rings | 0 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 39 | No. of Aliphatic Hetero Cycles | 0 |
No. of Heavy Atom | 25 | No. of Aromatic Carbocycles | 2 |
nHetero | 8 | No. of Aromatic Hetero Cycles | 1 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 0 |
No. of Carbon atom | 17 | No. of Saturated Rings | 0 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 16 |
No. of Oxygen atom | 8 | No. of Arom Bond | 17 |
nHA | 8 | APOL | 44.1411 |
nHD | 4 | BPOL | 20.1209 |
QED | 0.568 |
Synth | 2.541 |
Natural Product Likeliness | 1.459 |
NR-PPAR-gamma | 0.967 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.224 |
Pgp-sub | 0.067 |
HIA | 0.109 |
CACO-2 | -5.149 |
MDCK | 0.0000112 |
BBB | 0.004 |
PPB | 0.920205 |
VDSS | 0.799 |
FU | 0.142987 |
CYP1A2-inh | 0.901 |
CYP1A2-sub | 0.94 |
CYP2c19-inh | 0.052 |
CYP2c19-sub | 0.055 |
CYP2c9-inh | 0.611 |
CYP2c9-sub | 0.757 |
CYP2d6-inh | 0.361 |
CYP2d6-sub | 0.304 |
CYP3a4-inh | 0.456 |
CYP3a4-sub | 0.106 |
CL | 6.437 |
T12 | 0.925 |
hERG | 0.143 |
Ames | 0.429 |
ROA | 0.063 |
SkinSen | 0.82 |
Carcinogencity | 0.02 |
EI | 0.894 |
Respiratory | 0.13 |
NR-Aromatase | 0.907 |
Antiviral | Yes |
Prediction | 0.85427 |