Chemoinformaics analysis of LUTEOLIN-6-C-GLUCOSYL-O-ARABINOSIDE


Molecular Weight 580.495 nRot 6
Heavy Atom Molecular Weight 552.271 nRig 29
Exact Molecular Weight 580.143 nRing 5
Solubility: LogS -3.401 nHRing 3
Solubility: LogP -0.722 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 69 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 41 No. of Aromatic Carbocycles 2
nHetero 15 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 28 No. of Saturated Hetero Cycles 2
No. of Carbon atom 26 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 15 No. of Arom Bond 17
nHA 15 APOL 74.1202
nHD 10 BPOL 35.9018
QED 0.145
Synth 4.704
Natural Product Likeliness 2.047
NR-PPAR-gamma 0.961
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.003
Pgp-sub 0.95
HIA 0.992
CACO-2 -6.317
MDCK 0.0000356
BBB 0.167
PPB 0.834641
VDSS 0.705
FU 0.193206
CYP1A2-inh 0.007
CYP1A2-sub 0.022
CYP2c19-inh 0.008
CYP2c19-sub 0.051
CYP2c9-inh 0.001
CYP2c9-sub 0.157
CYP2d6-inh 0.001
CYP2d6-sub 0.148
CYP3a4-inh 0.009
CYP3a4-sub 0.003
CL 1.324
T12 0.489
hERG 0.071
Ames 0.742
ROA 0.04
SkinSen 0.188
Carcinogencity 0.041
EI 0.013
Respiratory 0.017
NR-Aromatase 0.934
Antiviral Yes
Prediction 0.783102