Chemoinformaics analysis of  Kaempferol-3-Alpha-L-Arabofuranoside-7-Alpha-L-Rhamnofuranoside


Molecular Weight 418.354 nRot 4
Heavy Atom Molecular Weight 400.21 nRig 23
Exact Molecular Weight 418.09 nRing 4
Solubility: LogS -3.937 nHRing 2
Solubility: LogP 0.781 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 48 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 30 No. of Aromatic Carbocycles 2
nHetero 10 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 18 No. of Saturated Hetero Cycles 1
No. of Carbon atom 20 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 10 No. of Arom Bond 17
nHA 10 APOL 53.4223
nHD 6 BPOL 24.1337
QED 0.348
Synth 3.708
Natural Product Likeliness 2.121
NR-PPAR-gamma 0.935
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.004
Pgp-sub 0.139
HIA 0.409
CACO-2 -5.969
MDCK 0.00000745
BBB 0.03
PPB 0.899277
VDSS 0.937
FU 0.123432
CYP1A2-inh 0.103
CYP1A2-sub 0.048
CYP2c19-inh 0.023
CYP2c19-sub 0.053
CYP2c9-inh 0.052
CYP2c9-sub 0.702
CYP2d6-inh 0.257
CYP2d6-sub 0.2
CYP3a4-inh 0.206
CYP3a4-sub 0.031
CL 5.122
T12 0.81
hERG 0.019
Ames 0.771
ROA 0.138
SkinSen 0.111
Carcinogencity 0.176
EI 0.052
Respiratory 0.029
NR-Aromatase 0.946
Antiviral Yes
Prediction 0.843747