Chemoinformaics analysis of 6-Hydroxyluteolin 7-glucoside


Molecular Weight 464.379 nRot 4
Heavy Atom Molecular Weight 444.219 nRig 24
Exact Molecular Weight 464.095 nRing 4
Solubility: LogS -3.559 nHRing 2
Solubility: LogP -0.249 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 53 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 33 No. of Aromatic Carbocycles 2
nHetero 12 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 21 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 12 No. of Arom Bond 17
nHA 12 APOL 58.0299
nHD 8 BPOL 26.1401
QED 0.229
Synth 4.046
Natural Product Likeliness 2.091
NR-PPAR-gamma 0.948
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.003
Pgp-sub 0.867
HIA 0.905
CACO-2 -6.263
MDCK 0.0000183
BBB 0.029
PPB 0.867789
VDSS 0.872
FU 0.158223
CYP1A2-inh 0.043
CYP1A2-sub 0.037
CYP2c19-inh 0.01
CYP2c19-sub 0.051
CYP2c9-inh 0.006
CYP2c9-sub 0.121
CYP2d6-inh 0.009
CYP2d6-sub 0.166
CYP3a4-inh 0.017
CYP3a4-sub 0.01
CL 3.536
T12 0.837
hERG 0.068
Ames 0.751
ROA 0.035
SkinSen 0.587
Carcinogencity 0.109
EI 0.049
Respiratory 0.033
NR-Aromatase 0.904
Antiviral Yes
Prediction 0.879683