Chemoinformaics analysis of FRUCTOSYLSUCROSE
Molecular Weight | 520.437 | nRot | 7 |
Heavy Atom Molecular Weight | 488.181 | nRig | 17 |
Exact Molecular Weight | 520.164 | nRing | 3 |
Solubility: LogS | 0.35 | nHRing | 3 |
Solubility: LogP | -4.155 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 67 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 35 | No. of Aromatic Carbocycles | 0 |
nHetero | 17 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 32 | No. of Saturated Hetero Cycles | 3 |
No. of Carbon atom | 18 | No. of Saturated Rings | 3 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 17 | No. of Arom Bond | 0 |
nHA | 17 | APOL | 65.0314 |
nHD | 13 | BPOL | 39.0466 |
QED | 0.148 |
Synth | 5.641 |
Natural Product Likeliness | 1.452 |
NR-PPAR-gamma | 0.006 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.001 |
Pgp-sub | 0.934 |
HIA | 1 |
CACO-2 | -6.29 |
MDCK | 0.000930809 |
BBB | 0.319 |
PPB | 0.0802611 |
VDSS | 0.152 |
FU | 0.613007 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0.014 |
CYP2c19-inh | 0 |
CYP2c19-sub | 0.044 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.025 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.06 |
CYP3a4-inh | 0.001 |
CYP3a4-sub | 0 |
CL | 1.136 |
T12 | 0.578 |
hERG | 0.162 |
Ames | 0.048 |
ROA | 0.021 |
SkinSen | 0.017 |
Carcinogencity | 0.003 |
EI | 0.003 |
Respiratory | 0.033 |
NR-Aromatase | 0.014 |
Antiviral | Yes |
Prediction | 0.755418 |