Chemoinformaics analysis of 5,7-DIHYDROXY-3,6,8-TRIMETHOXYFLAVONE


Molecular Weight 344.319 nRot 4
Heavy Atom Molecular Weight 328.191 nRig 18
Exact Molecular Weight 344.09 nRing 3
Solubility: LogS -4.191 nHRing 1
Solubility: LogP 2.89 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 41 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 25 No. of Aromatic Carbocycles 2
nHetero 7 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 16 No. of Saturated Hetero Cycles 0
No. of Carbon atom 18 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 7 No. of Arom Bond 17
nHA 7 APOL 46.3427
nHD 2 BPOL 23.8633
QED 0.751
Synth 2.479
Natural Product Likeliness 1.313
NR-PPAR-gamma 0.819
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 1
Pgp-sub 0
HIA 0.023
CACO-2 -4.867
MDCK 0.0000223
BBB 0.009
PPB 0.866753
VDSS 0.858
FU 0.163058
CYP1A2-inh 0.709
CYP1A2-sub 0.969
CYP2c19-inh 0.278
CYP2c19-sub 0.455
CYP2c9-inh 0.831
CYP2c9-sub 0.805
CYP2d6-inh 0.068
CYP2d6-sub 0.246
CYP3a4-inh 0.332
CYP3a4-sub 0.226
CL 1.77
T12 0.771
hERG 0.099
Ames 0.494
ROA 0.498
SkinSen 0.643
Carcinogencity 0.132
EI 0.678
Respiratory 0.089
NR-Aromatase 0.917
Antiviral Yes
Prediction 0.844931