Chemoinformaics analysis of 2,3,4,6-TETRAMETHYL-D-Glucose


Molecular Weight 236.264 nRot 5
Heavy Atom Molecular Weight 216.104 nRig 6
Exact Molecular Weight 236.126 nRing 1
Solubility: LogS 0.525 nHRing 1
Solubility: LogP -0.586 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 36 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 16 No. of Aromatic Carbocycles 0
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 20 No. of Saturated Hetero Cycles 1
No. of Carbon atom 10 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 6 No. of Arom Bond 0
nHA 6 APOL 34.8479
nHD 1 BPOL 28.7441
QED 0.687
Synth 3.951
Natural Product Likeliness 1.532
NR-PPAR-gamma 0.002
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.013
Pgp-sub 0.509
HIA 0.365
CACO-2 -4.916
MDCK 0.0000795
BBB 0.309
PPB 0.112414
VDSS 0.711
FU 0.792357
CYP1A2-inh 0.003
CYP1A2-sub 0.807
CYP2c19-inh 0.005
CYP2c19-sub 0.671
CYP2c9-inh 0.001
CYP2c9-sub 0.01
CYP2d6-inh 0.004
CYP2d6-sub 0.196
CYP3a4-inh 0.01
CYP3a4-sub 0.28
CL 2.576
T12 0.264
hERG 0.057
Ames 0.352
ROA 0.107
SkinSen 0.185
Carcinogencity 0.042
EI 0.03
Respiratory 0.023
NR-Aromatase 0.049
Antiviral No
Prediction 0.834186