Chemoinformaics analysis of  Naringin-7-O-Alpha-L-Rhamno-Glucoside


Molecular Weight 580.539 nRot 6
Heavy Atom Molecular Weight 548.283 nRig 30
Exact Molecular Weight 580.179 nRing 5
Solubility: LogS -3.43 nHRing 3
Solubility: LogP -0.493 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 73 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 41 No. of Aromatic Carbocycles 2
nHetero 14 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 32 No. of Saturated Hetero Cycles 2
No. of Carbon atom 27 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 14 No. of Arom Bond 12
nHA 14 APOL 77.6554
nHD 8 BPOL 41.6506
QED 0.202
Synth 4.738
Natural Product Likeliness 2.246
NR-PPAR-gamma 0.94
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.001
Pgp-sub 0.974
HIA 0.927
CACO-2 -6.501
MDCK 0.0000937
BBB 0.347
PPB 0.787384
VDSS 0.372
FU 0.219088
CYP1A2-inh 0.004
CYP1A2-sub 0.025
CYP2c19-inh 0.014
CYP2c19-sub 0.124
CYP2c9-inh 0.001
CYP2c9-sub 0.682
CYP2d6-inh 0.009
CYP2d6-sub 0.196
CYP3a4-inh 0.012
CYP3a4-sub 0.058
CL 1.489
T12 0.202
hERG 0.015
Ames 0.348
ROA 0.245
SkinSen 0.031
Carcinogencity 0.795
EI 0.007
Respiratory 0.033
NR-Aromatase 0.516
Antiviral Yes
Prediction 0.863477