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

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Chemoinformaics analysis of FISETIN


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 -3.704 nHRing 1
Solubility: LogP 2.428 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 2.359
Natural Product Likeliness 1.335
NR-PPAR-gamma 0.951
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.005
Pgp-sub 0.008
HIA 0.009
CACO-2 -4.987
Distribution
MDCK 0.00000979
BBB 0.009
PPB 0.970432
VDSS 0.477
Metabolism
FU 0.0517054
CYP1A2-inh 0.95
CYP1A2-sub 0.114
CYP2c19-inh 0.097
CYP2c19-sub 0.046
CYP2c9-inh 0.535
CYP2c9-sub 0.689
CYP2d6-inh 0.532
CYP2d6-sub 0.329
CYP3a4-inh 0.62
CYP3a4-sub 0.098
Excretion
CL 8.273
T12 0.92
Toxicity
hERG 0.043
Ames 0.73
ROA 0.178
SkinSen 0.919
Carcinogencity 0.147
EI 0.93
Respiratory 0.074
NR-Aromatase 0.932
Antiviral Prediction
Antiviral Yes
Prediction 0.748557
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A database of all the medicinal plants having PAN India presence.
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