OSADHI - Online Structural and Analytics based Database for Herbs of India

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Chemoinformaics analysis of luetolin


Physiochemical Properties
Molecular Weight 286.239 nRot 1
Heavy Atom Molecular Weight 276.159 nRig 18
Exact Molecular Weight 286.048 nRing 3
Solubility: LogS -3.629 nHRing 1
Solubility: LogP 2.902 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 31 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 21 No. of Aromatic Carbocycles 2
nHetero 6 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 10 No. of Saturated Hetero Cycles 0
No. of Carbon atom 15 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 6 No. of Arom Bond 17
nHA 6 APOL 36.5299
nHD 4 BPOL 12.6361
Medicinal Chemistry Properties
QED 0.511
Synth 2.42
Natural Product Likeliness 1.499
NR-PPAR-gamma 0.939
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.004
Pgp-sub 0.274
HIA 0.047
CACO-2 -5.028
Distribution
MDCK 0.00001
BBB 0.009
PPB 0.954357
VDSS 0.533
Metabolism
FU 0.0598461
CYP1A2-inh 0.981
CYP1A2-sub 0.154
CYP2c19-inh 0.124
CYP2c19-sub 0.046
CYP2c9-inh 0.576
CYP2c9-sub 0.842
CYP2d6-inh 0.568
CYP2d6-sub 0.559
CYP3a4-inh 0.549
CYP3a4-sub 0.092
Excretion
CL 8.146
T12 0.898
Toxicity
hERG 0.064
Ames 0.536
ROA 0.046
SkinSen 0.946
Carcinogencity 0.095
EI 0.944
Respiratory 0.22
NR-Aromatase 0.908
Antiviral Prediction
Antiviral Yes
Prediction 0.749732
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