Chemoinformaics analysis of 7,8,4-TRIHYDROXY-3-METHOXYFLAVONE


Molecular Weight 300.266 nRot 2
Heavy Atom Molecular Weight 288.17 nRig 18
Exact Molecular Weight 300.063 nRing 3
Solubility: LogS -3.794 nHRing 1
Solubility: LogP 2.657 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 34 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 22 No. of Aromatic Carbocycles 2
nHetero 6 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 No. of Saturated Hetero Cycles 0
No. of Carbon atom 16 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 6 No. of Arom Bond 17
nHA 6 APOL 39.5335
nHD 3 BPOL 16.3785
QED 0.629
Synth 2.331
Natural Product Likeliness 1.231
NR-PPAR-gamma 0.957
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.169
Pgp-sub 0.001
HIA 0.011
CACO-2 -4.899
MDCK 0.0000139
BBB 0.01
PPB 0.967789
VDSS 0.553
FU 0.0726958
CYP1A2-inh 0.948
CYP1A2-sub 0.441
CYP2c19-inh 0.196
CYP2c19-sub 0.059
CYP2c9-inh 0.586
CYP2c9-sub 0.792
CYP2d6-inh 0.528
CYP2d6-sub 0.285
CYP3a4-inh 0.412
CYP3a4-sub 0.146
CL 7.754
T12 0.918
hERG 0.008
Ames 0.745
ROA 0.448
SkinSen 0.813
Carcinogencity 0.527
EI 0.897
Respiratory 0.121
NR-Aromatase 0.938
Antiviral Yes
Prediction 0.792396