Chemoinformaics analysis of Kaempferol-7-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 -4.224 nHRing 2
Solubility: LogP 1.768 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 3.985
Natural Product Likeliness 1.968
NR-PPAR-gamma 0.944
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.023
Pgp-sub 0.719
HIA 0.133
CACO-2 -6.217
MDCK 0.0000121
BBB 0.018
PPB 0.949354
VDSS 0.813
FU 0.0686943
CYP1A2-inh 0.376
CYP1A2-sub 0.061
CYP2c19-inh 0.036
CYP2c19-sub 0.054
CYP2c9-inh 0.208
CYP2c9-sub 0.59
CYP2d6-inh 0.462
CYP2d6-sub 0.175
CYP3a4-inh 0.117
CYP3a4-sub 0.021
CL 2.746
T12 0.761
hERG 0.103
Ames 0.798
ROA 0.051
SkinSen 0.507
Carcinogencity 0.207
EI 0.104
Respiratory 0.081
NR-Aromatase 0.924
Antiviral Yes
Prediction 0.886536