Chemoinformaics analysis of Quercetin-3-o-beta-d-arabinofuranoside


Molecular Weight 434.353 nRot 4
Heavy Atom Molecular Weight 416.209 nRig 23
Exact Molecular Weight 434.085 nRing 4
Solubility: LogS -4.192 nHRing 2
Solubility: LogP 0.826 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 49 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 31 No. of Aromatic Carbocycles 2
nHetero 11 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 11 No. of Arom Bond 17
nHA 11 APOL 54.2243
nHD 7 BPOL 24.1337
QED 0.276
Synth 3.836
Natural Product Likeliness 2.213
NR-PPAR-gamma 0.85
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.024
Pgp-sub 0.149
HIA 0.33
CACO-2 -6.18
MDCK 0.00000687
BBB 0.012
PPB 0.908781
VDSS 0.804
FU 0.11668
CYP1A2-inh 0.414
CYP1A2-sub 0.047
CYP2c19-inh 0.025
CYP2c19-sub 0.047
CYP2c9-inh 0.174
CYP2c9-sub 0.372
CYP2d6-inh 0.226
CYP2d6-sub 0.178
CYP3a4-inh 0.165
CYP3a4-sub 0.016
CL 7.125
T12 0.897
hERG 0.12
Ames 0.822
ROA 0.059
SkinSen 0.84
Carcinogencity 0.051
EI 0.822
Respiratory 0.028
NR-Aromatase 0.87
Antiviral Yes
Prediction 0.813093