Chemoinformaics analysis of  Quercetin-3-(Beta-D-Galactofuranosyl-6-Beta-L-Rhamnopyranoside)


Molecular Weight 610.521 nRot 6
Heavy Atom Molecular Weight 580.281 nRig 30
Exact Molecular Weight 610.153 nRing 5
Solubility: LogS -4.146 nHRing 3
Solubility: LogP 0.127 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 16 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 27 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 16 No. of Arom Bond 17
nHA 16 APOL 77.9258
nHD 10 BPOL 39.6442
QED 0.14
Synth 4.783
Natural Product Likeliness 2.015
NR-PPAR-gamma 0.403
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.01
Pgp-sub 0.998
HIA 0.861
CACO-2 -6.453
MDCK 0.0000176
BBB 0.043
PPB 0.876149
VDSS 0.673
FU 0.157798
CYP1A2-inh 0.12
CYP1A2-sub 0.041
CYP2c19-inh 0.037
CYP2c19-sub 0.048
CYP2c9-inh 0.02
CYP2c9-sub 0.153
CYP2d6-inh 0.051
CYP2d6-sub 0.135
CYP3a4-inh 0.036
CYP3a4-sub 0.002
CL 1.22
T12 0.689
hERG 0.247
Ames 0.857
ROA 0.041
SkinSen 0.942
Carcinogencity 0.036
EI 0.396
Respiratory 0.023
NR-Aromatase 0.826
Antiviral Yes
Prediction 0.82405