Chemoinformaics analysis of Rhamnetin 3-galactosyl-(1->6)-galactoside


Molecular Weight 640.547 nRot 8
Heavy Atom Molecular Weight 608.291 nRig 30
Exact Molecular Weight 640.164 nRing 5
Solubility: LogS -3.621 nHRing 3
Solubility: LogP -0.509 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 77 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 45 No. of Aromatic Carbocycles 2
nHetero 17 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 32 No. of Saturated Hetero Cycles 2
No. of Carbon atom 28 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 17 No. of Arom Bond 17
nHA 17 APOL 81.7314
nHD 10 BPOL 43.3866
QED 0.115
Synth 4.762
Natural Product Likeliness 1.726
NR-PPAR-gamma 0.776
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.004
Pgp-sub 0.991
HIA 0.934
CACO-2 -6.379
MDCK 0.000039
BBB 0.127
PPB 0.793603
VDSS 0.66
FU 0.228908
CYP1A2-inh 0.024
CYP1A2-sub 0.025
CYP2c19-inh 0.015
CYP2c19-sub 0.055
CYP2c9-inh 0.001
CYP2c9-sub 0.184
CYP2d6-inh 0.016
CYP2d6-sub 0.158
CYP3a4-inh 0.014
CYP3a4-sub 0.003
CL 1.317
T12 0.675
hERG 0.083
Ames 0.826
ROA 0.032
SkinSen 0.137
Carcinogencity 0.044
EI 0.018
Respiratory 0.01
NR-Aromatase 0.831
Antiviral Yes
Prediction 0.798593