Chemoinformaics analysis of  Luteolin-7-O-Beta-D-Glucopyranosiduronic-Acid


Molecular Weight 814.611 nRot 10
Heavy Atom Molecular Weight 780.339 nRig 39
Exact Molecular Weight 814.144 nRing 6
Solubility: LogS -2.307 nHRing 4
Solubility: LogP -1 No. of Aliphatic Rings 3
Acid Count 3 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 91 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 57 No. of Aromatic Carbocycles 2
nHetero 24 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 34 No. of Saturated Hetero Cycles 3
No. of Carbon atom 33 No. of Saturated Rings 3
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 24 No. of Arom Bond 17
nHA 21 APOL 97.029
nHD 13 BPOL 49.733
QED 0.091
Synth 5.513
Natural Product Likeliness 1.341
NR-PPAR-gamma 0.827
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.985
HIA 0.996
CACO-2 -7.21
MDCK 0.000229067
BBB 0.117
PPB 0.679887
VDSS 0.493
FU 0.244829
CYP1A2-inh 0.001
CYP1A2-sub 0.001
CYP2c19-inh 0.005
CYP2c19-sub 0.021
CYP2c9-inh 0
CYP2c9-sub 0.187
CYP2d6-inh 0.001
CYP2d6-sub 0.054
CYP3a4-inh 0.004
CYP3a4-sub 0
CL 0.453
T12 0.612
hERG 0.005
Ames 0.017
ROA 0.078
SkinSen 0.002
Carcinogencity 0.012
EI 0.003
Respiratory 0.006
NR-Aromatase 0.145
Antiviral Yes
Prediction 0.73953