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

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Chemoinformaics analysis of FLAVIDIN


Physiochemical Properties
Molecular Weight 240.258 nRot 0
Heavy Atom Molecular Weight 228.162 nRig 19
Exact Molecular Weight 240.079 nRing 4
Solubility: LogS -4.08 nHRing 1
Solubility: LogP 3.011 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 0 No. of Aliphatic Carbocycles Rings 1
Atoms Count 30 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 18 No. of Aromatic Carbocycles 2
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 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 12
No. of Oxygen atom 3 No. of Arom Bond 12
nHA 3 APOL 35.4575
nHD 2 BPOL 13.7745
Medicinal Chemistry Properties
QED 0.744
Synth 2.74
Natural Product Likeliness 1.286
NR-PPAR-gamma 0.685
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.199
Pgp-sub 0.009
HIA 0.008
CACO-2 -4.952
Distribution
MDCK 0.0000132
BBB 0.389
PPB 0.91676
VDSS 1.57
Metabolism
FU 0.0442211
CYP1A2-inh 0.944
CYP1A2-sub 0.365
CYP2c19-inh 0.32
CYP2c19-sub 0.067
CYP2c9-inh 0.192
CYP2c9-sub 0.885
CYP2d6-inh 0.836
CYP2d6-sub 0.914
CYP3a4-inh 0.58
CYP3a4-sub 0.127
Excretion
CL 13.68
T12 0.517
Toxicity
hERG 0.207
Ames 0.753
ROA 0.192
SkinSen 0.909
Carcinogencity 0.126
EI 0.896
Respiratory 0.168
NR-Aromatase 0.559
Antiviral Prediction
Antiviral Yes
Prediction 0.660635
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A database of all the medicinal plants having PAN India presence.
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