Chemoinformaics analysis of AMYLOPECTIN
Molecular Weight | 828.72 | nRot | 13 |
Heavy Atom Molecular Weight | 776.304 | nRig | 30 |
Exact Molecular Weight | 828.275 | nRing | 5 |
Solubility: LogS | 1.142 | nHRing | 5 |
Solubility: LogP | -5.811 | No. of Aliphatic Rings | 5 |
Acid Count | 0 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 108 | No. of Aliphatic Hetero Cycles | 5 |
No. of Heavy Atom | 56 | No. of Aromatic Carbocycles | 0 |
nHetero | 26 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 52 | No. of Saturated Hetero Cycles | 5 |
No. of Carbon atom | 30 | No. of Saturated Rings | 5 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 26 | No. of Arom Bond | 0 |
nHA | 26 | APOL | 105.625 |
nHD | 17 | BPOL | 67.7908 |
QED | 0.082 |
Synth | 5.557 |
Natural Product Likeliness | 1.162 |
NR-PPAR-gamma | 0.019 |
Lipinski | Rejected |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0 |
Pgp-sub | 0.9 |
HIA | 1 |
CACO-2 | -6.369 |
MDCK | 0.0034684 |
BBB | 0.494 |
PPB | 0.0076344 |
VDSS | -0.246 |
FU | 0.516177 |
CYP1A2-inh | 0 |
CYP1A2-sub | 0.001 |
CYP2c19-inh | 0 |
CYP2c19-sub | 0.034 |
CYP2c9-inh | 0 |
CYP2c9-sub | 0.019 |
CYP2d6-inh | 0 |
CYP2d6-sub | 0.032 |
CYP3a4-inh | 0.001 |
CYP3a4-sub | 0 |
CL | -0.489 |
T12 | 0.414 |
hERG | 0.027 |
Ames | 0.057 |
ROA | 0.066 |
SkinSen | 0.001 |
Carcinogencity | 0.004 |
EI | 0.003 |
Respiratory | 0 |
NR-Aromatase | 0.055 |
Antiviral | Yes |
Prediction | 0.708005 |