Chemoinformaics analysis of QUERCETIN-3-RHAMNOGLUCOSIDE


Molecular Weight 730.582 nRot 6
Heavy Atom Molecular Weight 699.334 nRig 30
Exact Molecular Weight 730.103 nRing 5
Solubility: LogS -3.911 nHRing 3
Solubility: LogP -0.877 No. of Aliphatic Rings 2
Acid Count 3 No. of Aromatic Rings 3
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 80 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 49 No. of Aromatic Carbocycles 2
nHetero 22 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 31 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 20 No. of Arom Bond 17
nHA 18 APOL 108.811
nHD 11 BPOL 48.1714
QED 0.133
Synth 5.037
Natural Product Likeliness 1.839
NR-PPAR-gamma 0.942
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.002
Pgp-sub 0.986
HIA 0.885
CACO-2 -6.3
MDCK 0.000033
BBB 0.096
PPB 0.828934
VDSS 0.706
FU 0.175161
CYP1A2-inh 0.012
CYP1A2-sub 0.024
CYP2c19-inh 0.014
CYP2c19-sub 0.053
CYP2c9-inh 0.002
CYP2c9-sub 0.352
CYP2d6-inh 0.005
CYP2d6-sub 0.132
CYP3a4-inh 0.01
CYP3a4-sub 0.003
CL 1.449
T12 0.543
hERG 0.012
Ames 0.838
ROA 0.054
SkinSen 0.035
Carcinogencity 0.174
EI 0.009
Respiratory 0.016
NR-Aromatase 0.914
Antiviral Yes
Prediction 0.621238