Chemoinformaics analysis of naringenin 4´-methylether


Molecular Weight 286.283 nRot 2
Heavy Atom Molecular Weight 272.171 nRig 18
Exact Molecular Weight 286.084 nRing 3
Solubility: LogS -4.113 nHRing 1
Solubility: LogP 3.012 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 35 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 21 No. of Aromatic Carbocycles 2
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 14 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 12
No. of Oxygen atom 5 No. of Arom Bond 12
nHA 5 APOL 40.0651
nHD 2 BPOL 18.3849
QED 0.887
Synth 2.696
Natural Product Likeliness 1.506
NR-PPAR-gamma 0.917
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.006
Pgp-sub 0.001
HIA 0.008
CACO-2 -4.673
MDCK 0.0000104
BBB 0.048
PPB 0.956538
VDSS 0.555
FU 0.0428789
CYP1A2-inh 0.934
CYP1A2-sub 0.892
CYP2c19-inh 0.948
CYP2c19-sub 0.128
CYP2c9-inh 0.887
CYP2c9-sub 0.955
CYP2d6-inh 0.825
CYP2d6-sub 0.882
CYP3a4-inh 0.827
CYP3a4-sub 0.207
CL 13.625
T12 0.507
hERG 0.073
Ames 0.474
ROA 0.576
SkinSen 0.801
Carcinogencity 0.652
EI 0.913
Respiratory 0.792
NR-Aromatase 0.084
Antiviral Yes
Prediction 0.866801