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


Molecular Weight 478.406 nRot 5
Heavy Atom Molecular Weight 456.23 nRig 24
Exact Molecular Weight 478.111 nRing 4
Solubility: LogS -3.76 nHRing 2
Solubility: LogP -0.028 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 56 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 34 No. of Aromatic Carbocycles 2
nHetero 12 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 22 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 12 No. of Arom Bond 17
nHA 12 APOL 61.0334
nHD 7 BPOL 29.8826
QED 0.238
Synth 4.026
Natural Product Likeliness 2.032
NR-PPAR-gamma 0.939
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.005
Pgp-sub 0.951
HIA 0.854
CACO-2 -6.162
MDCK 0.0000267
BBB 0.09
PPB 0.822158
VDSS 0.896
FU 0.190309
CYP1A2-inh 0.034
CYP1A2-sub 0.085
CYP2c19-inh 0.011
CYP2c19-sub 0.061
CYP2c9-inh 0.005
CYP2c9-sub 0.213
CYP2d6-inh 0.015
CYP2d6-sub 0.189
CYP3a4-inh 0.032
CYP3a4-sub 0.018
CL 4.4
T12 0.72
hERG 0.091
Ames 0.732
ROA 0.037
SkinSen 0.193
Carcinogencity 0.091
EI 0.018
Respiratory 0.039
NR-Aromatase 0.883
Antiviral Yes
Prediction 0.944038