Chemoinformaics analysis of 2,5-dihydroxy-7-methoxyflavanone


Molecular Weight 286.283 nRot 2
Heavy Atom Molecular Weight 272.171 nRig 18
Exact Molecular Weight 286.084 nRing 3
Solubility: LogS -3.765 nHRing 1
Solubility: LogP 2.526 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 0.885
Synth 2.962
Natural Product Likeliness 1.41
NR-PPAR-gamma 0.453
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Pgp-inh 0.008
Pgp-sub 0.001
HIA 0.014
CACO-2 -4.769
MDCK 0.0000211
BBB 0.445
PPB 0.923542
VDSS 0.933
FU 0.038095
CYP1A2-inh 0.853
CYP1A2-sub 0.558
CYP2c19-inh 0.606
CYP2c19-sub 0.495
CYP2c9-inh 0.612
CYP2c9-sub 0.893
CYP2d6-inh 0.595
CYP2d6-sub 0.726
CYP3a4-inh 0.518
CYP3a4-sub 0.384
CL 11.143
T12 0.336
hERG 0.028
Ames 0.077
ROA 0.087
SkinSen 0.451
Carcinogencity 0.297
EI 0.327
Respiratory 0.419
NR-Aromatase 0.672
Antiviral Yes
Prediction 0.88162