Chemoinformaics analysis of NARINGENIN-7-O-BETA-D-GLUCOSIDE


Molecular Weight 434.397 nRot 4
Heavy Atom Molecular Weight 412.221 nRig 24
Exact Molecular Weight 434.121 nRing 4
Solubility: LogS -3.907 nHRing 2
Solubility: LogP 0.056 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 53 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 31 No. of Aromatic Carbocycles 2
nHetero 10 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 22 No. of Saturated Hetero Cycles 1
No. of Carbon atom 21 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 12
No. of Oxygen atom 10 No. of Arom Bond 12
nHA 10 APOL 57.7594
nHD 6 BPOL 28.1466
QED 0.385
Synth 4.002
Natural Product Likeliness 2.165
NR-PPAR-gamma 0.914
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.002
Pgp-sub 0.268
HIA 0.81
CACO-2 -6.382
MDCK 0.0000247
BBB 0.488
PPB 0.868986
VDSS 0.784
FU 0.147381
CYP1A2-inh 0.028
CYP1A2-sub 0.039
CYP2c19-inh 0.03
CYP2c19-sub 0.108
CYP2c9-inh 0.011
CYP2c9-sub 0.764
CYP2d6-inh 0.092
CYP2d6-sub 0.269
CYP3a4-inh 0.039
CYP3a4-sub 0.12
CL 6.075
T12 0.329
hERG 0.021
Ames 0.476
ROA 0.228
SkinSen 0.128
Carcinogencity 0.895
EI 0.021
Respiratory 0.066
NR-Aromatase 0.156
Antiviral Yes
Prediction 0.753531