Chemoinformaics analysis of GLUCOSIDASE
Molecular Weight | 336.287 | nRot | 5 |
Heavy Atom Molecular Weight | 318.143 | nRig | 12 |
Exact Molecular Weight | 336.102 | nRing | 2 |
Solubility: LogS | -1.503 | nHRing | 1 |
Solubility: LogP | -0.406 | No. of Aliphatic Rings | 1 |
Acid Count | 0 | No. of Aromatic Rings | 1 |
Base Count | 0 | No. of Aliphatic Carbocycles Rings | 0 |
Atoms Count | 41 | No. of Aliphatic Hetero Cycles | 1 |
No. of Heavy Atom | 23 | No. of Aromatic Carbocycles | 1 |
nHetero | 9 | No. of Aromatic Hetero Cycles | 0 |
nBridge Head | 0 | No. Saturated Carbocycles | 0 |
No. of Hydrogen atom | 18 | No. of Saturated Hetero Cycles | 1 |
No. of Carbon atom | 14 | No. of Saturated Rings | 1 |
No. of Nitrogen atom | 0 | No. of Arom Atom | 6 |
No. of Oxygen atom | 7 | No. of Arom Bond | 6 |
nHA | 7 | APOL | 42.1103 |
nHD | 4 | BPOL | 25.4917 |
QED | 0.59 |
Synth | 3.58 |
Natural Product Likeliness | 1.211 |
NR-PPAR-gamma | 0.002 |
Lipinski | Accepted |
Pfizer | Accepted |
GSK | Accepted |
Golden Triangle | Accepted |
Pgp-inh | 0.001 |
Pgp-sub | 0.832 |
HIA | 0.558 |
CACO-2 | -5.466 |
MDCK | 0.000247063 |
BBB | 0.503 |
PPB | 0.493328 |
VDSS | 0.862 |
FU | 0.49472 |
CYP1A2-inh | 0.021 |
CYP1A2-sub | 0.118 |
CYP2c19-inh | 0.01 |
CYP2c19-sub | 0.691 |
CYP2c9-inh | 0.001 |
CYP2c9-sub | 0.335 |
CYP2d6-inh | 0.005 |
CYP2d6-sub | 0.453 |
CYP3a4-inh | 0.006 |
CYP3a4-sub | 0.075 |
CL | 3.905 |
T12 | 0.389 |
hERG | 0.01 |
Ames | 0.223 |
ROA | 0.021 |
SkinSen | 0.048 |
Carcinogencity | 0.137 |
EI | 0.01 |
Respiratory | 0.017 |
NR-Aromatase | 0.008 |
Antiviral | Yes |
Prediction | 0.578723 |