Chemoinformaics analysis of Kaempferol-3-O-Alpha-L-Arabofuranoside


Molecular Weight 606.533 nRot 7
Heavy Atom Molecular Weight 576.293 nRig 30
Exact Molecular Weight 606.158 nRing 5
Solubility: LogS -4.388 nHRing 3
Solubility: LogP 0.013 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 73 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 43 No. of Aromatic Carbocycles 2
nHetero 15 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 30 No. of Saturated Hetero Cycles 2
No. of Carbon atom 28 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 78.7938
nHD 7 BPOL 42.2482
QED 0.167
Synth 4.642
Natural Product Likeliness 2.16
NR-PPAR-gamma 0.947
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.004
Pgp-sub 0.975
HIA 0.799
CACO-2 -6.295
MDCK 0.0000797
BBB 0.166
PPB 0.760656
VDSS 0.609
FU 0.206727
CYP1A2-inh 0.021
CYP1A2-sub 0.029
CYP2c19-inh 0.01
CYP2c19-sub 0.061
CYP2c9-inh 0.004
CYP2c9-sub 0.294
CYP2d6-inh 0.02
CYP2d6-sub 0.143
CYP3a4-inh 0.028
CYP3a4-sub 0.021
CL 1.605
T12 0.322
hERG 0.012
Ames 0.707
ROA 0.038
SkinSen 0.017
Carcinogencity 0.699
EI 0.006
Respiratory 0.011
NR-Aromatase 0.934
Antiviral Yes
Prediction 0.843581