Chemoinformaics analysis of luteolin-7-o-monoglucoside


Molecular Weight 448.38 nRot 4
Heavy Atom Molecular Weight 428.22 nRig 24
Exact Molecular Weight 448.101 nRing 4
Solubility: LogS -3.899 nHRing 2
Solubility: LogP 0.907 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 52 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 32 No. of Aromatic Carbocycles 2
nHetero 11 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 20 No. of Saturated Hetero Cycles 1
No. of Carbon atom 21 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 57.2279
nHD 7 BPOL 26.1401
QED 0.261
Synth 3.924
Natural Product Likeliness 1.972
NR-PPAR-gamma 0.684
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Pgp-inh 0.006
Pgp-sub 0.951
HIA 0.692
CACO-2 -6.275
MDCK 0.00000967
BBB 0.016
PPB 0.909231
VDSS 0.722
FU 0.097792
CYP1A2-inh 0.363
CYP1A2-sub 0.055
CYP2c19-inh 0.027
CYP2c19-sub 0.053
CYP2c9-inh 0.039
CYP2c9-sub 0.204
CYP2d6-inh 0.16
CYP2d6-sub 0.202
CYP3a4-inh 0.082
CYP3a4-sub 0.019
CL 4.386
T12 0.793
hERG 0.208
Ames 0.781
ROA 0.016
SkinSen 0.926
Carcinogencity 0.249
EI 0.506
Respiratory 0.056
NR-Aromatase 0.864
Antiviral Yes
Prediction 0.841253