Chemoinformaics analysis of LUTEOLIN-7-O-GENTIOBIOSIDE


Molecular Weight 610.521 nRot 7
Heavy Atom Molecular Weight 580.281 nRig 30
Exact Molecular Weight 610.153 nRing 5
Solubility: LogS -3.213 nHRing 3
Solubility: LogP -0.88 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 0.125
Synth 4.72
Natural Product Likeliness 1.718
NR-PPAR-gamma 0.932
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Pgp-inh 0.001
Pgp-sub 0.973
HIA 0.985
CACO-2 -6.343
MDCK 0.0000924
BBB 0.31
PPB 0.789703
VDSS 0.577
FU 0.213299
CYP1A2-inh 0.012
CYP1A2-sub 0.02
CYP2c19-inh 0.009
CYP2c19-sub 0.05
CYP2c9-inh 0.001
CYP2c9-sub 0.131
CYP2d6-inh 0.003
CYP2d6-sub 0.163
CYP3a4-inh 0.01
CYP3a4-sub 0.003
CL 1.314
T12 0.443
hERG 0.043
Ames 0.676
ROA 0.028
SkinSen 0.056
Carcinogencity 0.487
EI 0.01
Respiratory 0.02
NR-Aromatase 0.92
Antiviral Yes
Prediction 0.80612