Chemoinformaics analysis of 6-HYDROXYLUTEOLIN 7-GLUCURONIDE


Molecular Weight 478.362 nRot 4
Heavy Atom Molecular Weight 460.218 nRig 25
Exact Molecular Weight 478.075 nRing 4
Solubility: LogS -3.702 nHRing 2
Solubility: LogP 0.241 No. of Aliphatic Rings 1
Acid Count 1 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 52 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 34 No. of Aromatic Carbocycles 2
nHetero 13 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 18 No. of Saturated Hetero Cycles 1
No. of Carbon atom 21 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 57.4983
nHD 8 BPOL 25.0017
QED 0.223
Synth 4.11
Natural Product Likeliness 1.892
NR-PPAR-gamma 0.942
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0
Pgp-sub 0.569
HIA 0.853
CACO-2 -6.539
MDCK 0.000019
BBB 0.016
PPB 0.870532
VDSS 0.706
FU 0.154386
CYP1A2-inh 0.036
CYP1A2-sub 0.022
CYP2c19-inh 0.017
CYP2c19-sub 0.04
CYP2c9-inh 0.009
CYP2c9-sub 0.116
CYP2d6-inh 0.003
CYP2d6-sub 0.127
CYP3a4-inh 0.011
CYP3a4-sub 0.002
CL 1.713
T12 0.91
hERG 0.027
Ames 0.178
ROA 0.035
SkinSen 0.2
Carcinogencity 0.085
EI 0.023
Respiratory 0.031
NR-Aromatase 0.733
Antiviral Yes
Prediction 0.816682