Chemoinformaics analysis of QUERCETIN-7-O-BETA-D-GLUCOPYRANOSIDE-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 -3.714 nHRing 3
Solubility: LogP -0.58 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 4.784
Natural Product Likeliness 2.096
NR-PPAR-gamma 0.958
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.002
Pgp-sub 0.981
HIA 0.936
CACO-2 -6.382
MDCK 0.0000577
BBB 0.086
PPB 0.837209
VDSS 0.685
FU 0.118752
CYP1A2-inh 0.014
CYP1A2-sub 0.021
CYP2c19-inh 0.008
CYP2c19-sub 0.051
CYP2c9-inh 0.002
CYP2c9-sub 0.108
CYP2d6-inh 0.005
CYP2d6-sub 0.147
CYP3a4-inh 0.015
CYP3a4-sub 0.004
CL 1.515
T12 0.52
hERG 0.011
Ames 0.832
ROA 0.049
SkinSen 0.034
Carcinogencity 0.323
EI 0.006
Respiratory 0.018
NR-Aromatase 0.943
Antiviral Yes
Prediction 0.805032