Chemoinformaics analysis of NARINGENIN-7-RHAMNOGLUCOSIDE


Molecular Weight 596.538 nRot 7
Heavy Atom Molecular Weight 564.282 nRig 30
Exact Molecular Weight 596.174 nRing 5
Solubility: LogS -2.632 nHRing 3
Solubility: LogP -1.092 No. of Aliphatic Rings 3
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 74 No. of Aliphatic Hetero Cycles 3
No. of Heavy Atom 42 No. of Aromatic Carbocycles 2
nHetero 15 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 15 No. of Arom Bond 12
nHA 15 APOL 78.4574
nHD 9 BPOL 41.6506
QED 0.165
Synth 4.746
Natural Product Likeliness 1.921
NR-PPAR-gamma 0.871
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.001
Pgp-sub 0.965
HIA 0.972
CACO-2 -6.576
MDCK 0.000117494
BBB 0.472
PPB 0.63157
VDSS 0.352
FU 0.323749
CYP1A2-inh 0.003
CYP1A2-sub 0.014
CYP2c19-inh 0.009
CYP2c19-sub 0.066
CYP2c9-inh 0.001
CYP2c9-sub 0.497
CYP2d6-inh 0.007
CYP2d6-sub 0.171
CYP3a4-inh 0.01
CYP3a4-sub 0.029
CL 1.373
T12 0.259
hERG 0.016
Ames 0.286
ROA 0.248
SkinSen 0.03
Carcinogencity 0.761
EI 0.007
Respiratory 0.021
NR-Aromatase 0.484
Antiviral Yes
Prediction 0.867374