Chemoinformaics analysis of 5-hydroxy-6,7,8,4?tetramethoxyflavone


Molecular Weight 358.346 nRot 5
Heavy Atom Molecular Weight 340.202 nRig 18
Exact Molecular Weight 358.105 nRing 3
Solubility: LogS -4.436 nHRing 1
Solubility: LogP 3.372 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 44 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 26 No. of Aromatic Carbocycles 2
nHetero 7 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 18 No. of Saturated Hetero Cycles 0
No. of Carbon atom 19 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 49.3463
nHD 1 BPOL 27.6057
QED 0.749
Synth 2.386
Natural Product Likeliness 1.096
NR-PPAR-gamma 0.806
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.999
Pgp-sub 0
HIA 0.012
CACO-2 -4.595
MDCK 0.0000276
BBB 0.017
PPB 0.800038
VDSS 0.915
FU 0.207062
CYP1A2-inh 0.587
CYP1A2-sub 0.975
CYP2c19-inh 0.747
CYP2c19-sub 0.738
CYP2c9-inh 0.863
CYP2c9-sub 0.909
CYP2d6-inh 0.037
CYP2d6-sub 0.897
CYP3a4-inh 0.407
CYP3a4-sub 0.574
CL 3.092
T12 0.335
hERG 0.218
Ames 0.547
ROA 0.426
SkinSen 0.437
Carcinogencity 0.106
EI 0.093
Respiratory 0.118
NR-Aromatase 0.864
Antiviral Yes
Prediction 0.874191