Chemoinformaics analysis of  Apigenin-7-Di-O-Xyloside


Molecular Weight 566.468 nRot 5
Heavy Atom Molecular Weight 540.26 nRig 30
Exact Molecular Weight 566.127 nRing 5
Solubility: LogS -3.677 nHRing 3
Solubility: LogP -0.608 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 66 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 40 No. of Aromatic Carbocycles 2
nHetero 15 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 26 No. of Saturated Hetero Cycles 2
No. of Carbon atom 25 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 15 No. of Arom Bond 17
nHA 15 APOL 71.1166
nHD 9 BPOL 35.6314
QED 0.159
Synth 4.655
Natural Product Likeliness 1.674
NR-PPAR-gamma 0.857
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.001
Pgp-sub 0.977
HIA 0.939
CACO-2 -6.293
MDCK 0.0000904
BBB 0.197
PPB 0.801379
VDSS 0.596
FU 0.150446
CYP1A2-inh 0.013
CYP1A2-sub 0.021
CYP2c19-inh 0.021
CYP2c19-sub 0.054
CYP2c9-inh 0.001
CYP2c9-sub 0.669
CYP2d6-inh 0.009
CYP2d6-sub 0.171
CYP3a4-inh 0.01
CYP3a4-sub 0.004
CL 1.005
T12 0.379
hERG 0.037
Ames 0.654
ROA 0.016
SkinSen 0.015
Carcinogencity 0.757
EI 0.009
Respiratory 0.026
NR-Aromatase 0.908
Antiviral Yes
Prediction 0.810879