Chemoinformaics analysis of Naringenin 7-O-Beta- Glucoside


Molecular Weight 476.434 nRot 5
Heavy Atom Molecular Weight 452.242 nRig 25
Exact Molecular Weight 476.132 nRing 4
Solubility: LogS -4.226 nHRing 2
Solubility: LogP 1.057 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 58 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 34 No. of Aromatic Carbocycles 2
nHetero 11 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 24 No. of Saturated Hetero Cycles 1
No. of Carbon atom 23 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 11 No. of Arom Bond 12
nHA 11 APOL 63.235
nHD 5 BPOL 32.757
QED 0.382
Synth 4.074
Natural Product Likeliness 2.11
NR-PPAR-gamma 0.93
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.003
Pgp-sub 0.413
HIA 0.834
CACO-2 -6.354
MDCK 0.000036
BBB 0.383
PPB 0.80626
VDSS 0.477
FU 0.227863
CYP1A2-inh 0.025
CYP1A2-sub 0.039
CYP2c19-inh 0.058
CYP2c19-sub 0.082
CYP2c9-inh 0.028
CYP2c9-sub 0.809
CYP2d6-inh 0.252
CYP2d6-sub 0.256
CYP3a4-inh 0.103
CYP3a4-sub 0.172
CL 4.266
T12 0.373
hERG 0.028
Ames 0.507
ROA 0.218
SkinSen 0.068
Carcinogencity 0.855
EI 0.023
Respiratory 0.044
NR-Aromatase 0.046
Antiviral Yes
Prediction 0.800909