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

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Chemoinformaics analysis of Lisetin


Physiochemical Properties
Molecular Weight 382.368 nRot 3
Heavy Atom Molecular Weight 364.224 nRig 22
Exact Molecular Weight 382.105 nRing 4
Solubility: LogS -3.535 nHRing 2
Solubility: LogP 4.581 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 4
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 46 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 28 No. of Aromatic Carbocycles 2
nHetero 7 No. of Aromatic Hetero Cycles 2
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 18 No. of Saturated Hetero Cycles 0
No. of Carbon atom 21 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 17
No. of Oxygen atom 7 No. of Arom Bond 20
nHA 7 APOL 52.6863
nHD 3 BPOL 24.1337
Medicinal Chemistry Properties
QED 0.452
Synth 3.209
Natural Product Likeliness 2.183
NR-PPAR-gamma 0.846
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Rejected
Golden Triangle Accepted
Absorption
Pgp-inh 0.038
Pgp-sub 0.663
HIA 0.237
CACO-2 -4.995
Distribution
MDCK 0.0000132
BBB 0.005
PPB 0.789771
VDSS 0.931
Metabolism
FU 0.205953
CYP1A2-inh 0.874
CYP1A2-sub 0.672
CYP2c19-inh 0.52
CYP2c19-sub 0.057
CYP2c9-inh 0.743
CYP2c9-sub 0.604
CYP2d6-inh 0.218
CYP2d6-sub 0.221
CYP3a4-inh 0.216
CYP3a4-sub 0.056
Excretion
CL 8.524
T12 0.696
Toxicity
hERG 0.002
Ames 0.056
ROA 0.867
SkinSen 0.823
Carcinogencity 0.499
EI 0.595
Respiratory 0.665
NR-Aromatase 0.848
Antiviral Prediction
Antiviral Yes
Prediction 0.649327
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A database of all the medicinal plants having PAN India presence.
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