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

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Chemoinformaics analysis of 7-methoxy Luteolin


Physiochemical Properties
Molecular Weight 460.435 nRot 5
Heavy Atom Molecular Weight 436.243 nRig 24
Exact Molecular Weight 460.137 nRing 4
Solubility: LogS -4.003 nHRing 2
Solubility: LogP 2.276 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 57 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 33 No. of Aromatic Carbocycles 2
nHetero 10 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 24 No. of Saturated Hetero Cycles 1
No. of Carbon atom 23 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 10 No. of Arom Bond 17
nHA 10 APOL 62.433
nHD 4 BPOL 33.625
Medicinal Chemistry Properties
QED 0.44
Synth 3.83
Natural Product Likeliness 1.728
NR-PPAR-gamma 0.892
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.018
Pgp-sub 0.874
HIA 0.665
CACO-2 -5.638
Distribution
MDCK 0.0000359
BBB 0.149
PPB 0.747031
VDSS 0.888
Metabolism
FU 0.184198
CYP1A2-inh 0.069
CYP1A2-sub 0.871
CYP2c19-inh 0.042
CYP2c19-sub 0.344
CYP2c9-inh 0.04
CYP2c9-sub 0.81
CYP2d6-inh 0.073
CYP2d6-sub 0.874
CYP3a4-inh 0.084
CYP3a4-sub 0.104
Excretion
CL 5.67
T12 0.374
Toxicity
hERG 0.026
Ames 0.673
ROA 0.03
SkinSen 0.042
Carcinogencity 0.255
EI 0.015
Respiratory 0.184
NR-Aromatase 0.89
Antiviral Prediction
Antiviral Yes
Prediction 0.893579
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