Chemoinformaics analysis of BETA-GALACTOSIDASE
Molecular Weight | 567.61 | nRot | 7 |
Heavy Atom Molecular Weight | 533.338 | nRig | 32 |
Exact Molecular Weight | 567.227 | nRing | 6 |
Solubility: LogS | -3.981 | nHRing | 3 |
Solubility: LogP | 2.962 | No. of Aliphatic Rings | 3 |
Acid Count | 0 | No. of Aromatic Rings | 3 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 75 | No. of Aliphatic Hetero Cycles | 3 |
No. of Heavy Atom | 41 | No. of Aromatic Carbocycles | 3 |
nHetero | 10 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 34 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 31 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 1 | No. of Arom Atom | 18 |
No. of Oxygen atom | 8 | No. of Arom Bond | 18 |
nHA | 9 | APOL | 82.514 |
nHD | 4 | BPOL | 43.876 |
QED | 0.341 |
Synth | 4.999 |
Natural Product Likeliness | 0.777 |
NR-PPAR-gamma | 0.651 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Rejected |
Golden Triangle | Rejected |
Pgp-inh | 0.063 |
Pgp-sub | 0.967 |
HIA | 0.042 |
CACO-2 | -5.531 |
MDCK | 0.0000212 |
BBB | 0.143 |
PPB | 0.95687 |
VDSS | 0.874 |
FU | 0.0229015 |
CYP1A2-inh | 0.022 |
CYP1A2-sub | 0.115 |
CYP2c19-inh | 0.062 |
CYP2c19-sub | 0.767 |
CYP2c9-inh | 0.046 |
CYP2c9-sub | 0.317 |
CYP2d6-inh | 0.269 |
CYP2d6-sub | 0.454 |
CYP3a4-inh | 0.149 |
CYP3a4-sub | 0.907 |
CL | 2.223 |
T12 | 0.206 |
hERG | 0.12 |
Ames | 0.865 |
ROA | 0.829 |
SkinSen | 0.389 |
Carcinogencity | 0.932 |
EI | 0.008 |
Respiratory | 0.982 |
NR-Aromatase | 0.931 |
Antiviral | Yes |
Prediction | 0.846426 |