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

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Chemoinformaics analysis of Vogeletin


Physiochemical Properties
Molecular Weight 316.265 nRot 2
Heavy Atom Molecular Weight 304.169 nRig 18
Exact Molecular Weight 316.058 nRing 3
Solubility: LogS -3.68 nHRing 1
Solubility: LogP 2.476 No. of Aliphatic Rings 0
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 35 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 23 No. of Aromatic Carbocycles 2
nHetero 7 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 12 No. of Saturated Hetero Cycles 0
No. of Carbon atom 16 No. of Saturated Rings 0
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 7 No. of Arom Bond 17
nHA 7 APOL 40.3355
nHD 4 BPOL 16.3785
Medicinal Chemistry Properties
QED 0.535
Synth 2.544
Natural Product Likeliness 1.608
NR-PPAR-gamma 0.971
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.259
Pgp-sub 0.003
HIA 0.017
CACO-2 -5.066
Distribution
MDCK 0.0000104
BBB 0.005
PPB 0.967202
VDSS 0.557
Metabolism
FU 0.0969862
CYP1A2-inh 0.916
CYP1A2-sub 0.376
CYP2c19-inh 0.098
CYP2c19-sub 0.051
CYP2c9-inh 0.676
CYP2c9-sub 0.684
CYP2d6-inh 0.542
CYP2d6-sub 0.2
CYP3a4-inh 0.356
CYP3a4-sub 0.084
Excretion
CL 5.439
T12 0.918
Toxicity
hERG 0.121
Ames 0.642
ROA 0.162
SkinSen 0.875
Carcinogencity 0.081
EI 0.916
Respiratory 0.067
NR-Aromatase 0.942
Antiviral Prediction
Antiviral Yes
Prediction 0.777464
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A database of all the medicinal plants having PAN India presence.
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