Chemoinformaics analysis of Syringin
Molecular Weight | 372.37 | nRot | 7 |
Heavy Atom Molecular Weight | 348.178 | nRig | 13 |
Exact Molecular Weight | 372.142 | nRing | 2 |
Solubility: LogS | -1.264 | nHRing | 1 |
Solubility: LogP | -0.633 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 50 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 26 | No. of Aromatic Carbocycles | 1 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 24 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 17 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 9 | No. of Arom Bond | 6 |
nHA | 9 | APOL | 51.611 |
nHD | 5 | BPOL | 31.021 |
QED | 0.403 |
Synth | 3.723 |
Natural Product Likeliness | 1.913 |
NR-PPAR-gamma | 0.005 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.428 |
HIA | 0.802 |
CACO-2 | -5.447 |
MDCK | 0.000173538 |
BBB | 0.617 |
PPB | 0.273666 |
VDSS | 0.55 |
FU | 0.420223 |
CYP1A2-inh | 0.016 |
CYP1A2-sub | 0.127 |
CYP2c19-inh | 0.006 |
CYP2c19-sub | 0.747 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.281 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.268 |
CYP3a4-inh | 0.005 |
CYP3a4-sub | 0.031 |
CL | 2.401 |
T12 | 0.741 |
hERG | 0.054 |
Ames | 0.127 |
ROA | 0.157 |
SkinSen | 0.299 |
Carcinogencity | 0.128 |
EI | 0.01 |
Respiratory | 0.028 |
NR-Aromatase | 0.387 |
Antiviral | No |
Prediction | 0.605295 |