Chemoinformaics analysis of (2S) Naringenin 7-O-?-glucopiranoside


Molecular Weight 869.41 nRot 48
Heavy Atom Molecular Weight 768.61 nRig 7
Exact Molecular Weight 868.752 nRing 0
Solubility: LogS -7.864 nHRing 0
Solubility: LogP 17.007 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 162 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 62 No. of Aromatic Carbocycles 0
nHetero 6 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 100 No. of Saturated Hetero Cycles 0
No. of Carbon atom 56 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 0
No. of Oxygen atom 6 No. of Arom Bond 0
nHA 6 APOL 165.011
nHD 0 BPOL 108.133
QED 0.026
Synth 3.692
Natural Product Likeliness 0.563
NR-PPAR-gamma 0.057
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0
Pgp-sub 0.65
HIA 0.013
CACO-2 -4.938
MDCK 0.00000351
BBB 0
PPB 1.13903
VDSS 4.044
FU 0.0056915
CYP1A2-inh 0.013
CYP1A2-sub 0.064
CYP2c19-inh 0.064
CYP2c19-sub 0.022
CYP2c9-inh 0.016
CYP2c9-sub 0.989
CYP2d6-inh 0.009
CYP2d6-sub 0.006
CYP3a4-inh 0.165
CYP3a4-sub 0.006
CL 4.933
T12 0.006
hERG 0.122
Ames 0.009
ROA 0
SkinSen 0.998
Carcinogencity 0.159
EI 0.785
Respiratory 0.117
NR-Aromatase 0.067
Antiviral Yes
Prediction 0.74376