Chemoinformaics analysis of 7-HYDROXY-3,5-DIMETHOXYFLAVONE


Molecular Weight 298.294 nRot 3
Heavy Atom Molecular Weight 284.182 nRig 18
Exact Molecular Weight 298.084 nRing 3
Solubility: LogS -3.747 nHRing 1
Solubility: LogP 3.212 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 36 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 22 No. of Aromatic Carbocycles 2
nHetero 5 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 No. of Saturated Hetero Cycles 0
No. of Carbon atom 17 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 5 No. of Arom Bond 17
nHA 5 APOL 41.7351
nHD 1 BPOL 20.1209
QED 0.804
Synth 2.171
Natural Product Likeliness 1.253
NR-PPAR-gamma 0.863
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.991
Pgp-sub 0.002
HIA 0.007
CACO-2 -4.756
MDCK 0.0000199
BBB 0.047
PPB 0.924519
VDSS 0.788
FU 0.0731895
CYP1A2-inh 0.963
CYP1A2-sub 0.932
CYP2c19-inh 0.924
CYP2c19-sub 0.157
CYP2c9-inh 0.811
CYP2c9-sub 0.92
CYP2d6-inh 0.767
CYP2d6-sub 0.802
CYP3a4-inh 0.763
CYP3a4-sub 0.178
CL 4.89
T12 0.791
hERG 0.023
Ames 0.638
ROA 0.07
SkinSen 0.265
Carcinogencity 0.147
EI 0.873
Respiratory 0.24
NR-Aromatase 0.888
Antiviral Yes
Prediction 0.792037