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


Molecular Weight 432.381 nRot 4
Heavy Atom Molecular Weight 412.221 nRig 23
Exact Molecular Weight 432.106 nRing 4
Solubility: LogS -4.056 nHRing 2
Solubility: LogP 1.276 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 51 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 31 No. of Aromatic Carbocycles 2
nHetero 10 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 20 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 16
No. of Oxygen atom 10 No. of Arom Bond 17
nHA 10 APOL 56.4259
nHD 6 BPOL 26.1401
QED 0.346
Synth 3.975
Natural Product Likeliness 2.003
NR-PPAR-gamma 0.956
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.003
Pgp-sub 0.724
HIA 0.31
CACO-2 -6.01
MDCK 0.00000853
BBB 0.016
PPB 0.913168
VDSS 0.919
FU 0.0832296
CYP1A2-inh 0.1
CYP1A2-sub 0.059
CYP2c19-inh 0.025
CYP2c19-sub 0.055
CYP2c9-inh 0.078
CYP2c9-sub 0.812
CYP2d6-inh 0.296
CYP2d6-sub 0.217
CYP3a4-inh 0.103
CYP3a4-sub 0.034
CL 3.43
T12 0.731
hERG 0.02
Ames 0.753
ROA 0.114
SkinSen 0.06
Carcinogencity 0.245
EI 0.016
Respiratory 0.047
NR-Aromatase 0.949
Antiviral Yes
Prediction 0.859393