Chemoinformaics analysis of  6-Methoxy-Luteolin-7-Glucuronide


Molecular Weight 492.389 nRot 5
Heavy Atom Molecular Weight 472.229 nRig 25
Exact Molecular Weight 492.09 nRing 4
Solubility: LogS -3.929 nHRing 2
Solubility: LogP 0.578 No. of Aliphatic Rings 1
Acid Count 1 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 55 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 35 No. of Aromatic Carbocycles 2
nHetero 13 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 20 No. of Saturated Hetero Cycles 1
No. of Carbon atom 22 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 13 No. of Arom Bond 17
nHA 12 APOL 60.5019
nHD 7 BPOL 28.7441
QED 0.231
Synth 4.091
Natural Product Likeliness 1.841
NR-PPAR-gamma 0.947
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.001
Pgp-sub 0.872
HIA 0.834
CACO-2 -6.469
MDCK 0.000031
BBB 0.029
PPB 0.830625
VDSS 0.64
FU 0.183477
CYP1A2-inh 0.03
CYP1A2-sub 0.058
CYP2c19-inh 0.019
CYP2c19-sub 0.048
CYP2c9-inh 0.005
CYP2c9-sub 0.189
CYP2d6-inh 0.006
CYP2d6-sub 0.139
CYP3a4-inh 0.015
CYP3a4-sub 0.002
CL 1.357
T12 0.876
hERG 0.033
Ames 0.149
ROA 0.044
SkinSen 0.05
Carcinogencity 0.077
EI 0.012
Respiratory 0.036
NR-Aromatase 0.72
Antiviral Yes
Prediction 0.871721