Chemoinformaics analysis of alpha-D-Glucose 1,6-bisphosphate
Molecular Weight | 340.114 | nRot | 5 |
Heavy Atom Molecular Weight | 326.002 | nRig | 10 |
Exact Molecular Weight | 339.996 | nRing | 1 |
Solubility: LogS | -0.039 | nHRing | 1 |
Solubility: LogP | -3.352 | No. of Aliphatic Rings | 1 |
Acid Count | 4 | No. of Aromatic Rings | 0 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 34 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 20 | No. of Aromatic Carbocycles | 0 |
nHetero | 14 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 14 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 6 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 0 |
No. of Oxygen atom | 12 | No. of Arom Bond | 0 |
nHA | 8 | APOL | 36.2391 |
nHD | 7 | BPOL | 36.6689 |
QED | 0.326 |
Synth | 6.012 |
Natural Product Likeliness | 1.245 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0 |
Pgp-sub | 0.028 |
HIA | 0.962 |
CACO-2 | -6.29 |
MDCK | 0.000557093 |
BBB | 0.411 |
PPB | 0.0791466 |
VDSS | 0.254 |
FU | 0.74798 |
CYP1A2-inh | 0.001 |
CYP1A2-sub | 0.018 |
CYP2c19-inh | 0.035 |
CYP2c19-sub | 0.031 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.86 |
CYP2d6-inh | 0.03 |
CYP2d6-sub | 0.09 |
CYP3a4-inh | 0.003 |
CYP3a4-sub | 0.001 |
CL | 1.406 |
T12 | 0.865 |
hERG | 0.011 |
Ames | 0.039 |
ROA | 0.001 |
SkinSen | 0.15 |
Carcinogencity | 0.033 |
EI | 0.036 |
Respiratory | 0.157 |
NR-Aromatase | 0 |
Antiviral | No |
Prediction | 0.769709 |