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

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Chemoinformaics analysis of EUGENYL GLUCOSIDE


Physiochemical Properties
Molecular Weight 326.345 nRot 6
Heavy Atom Molecular Weight 304.169 nRig 13
Exact Molecular Weight 326.137 nRing 2
Solubility: LogS -1.638 nHRing 1
Solubility: LogP -0.055 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 1
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 45 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 23 No. of Aromatic Carbocycles 1
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 22 No. of Saturated Hetero Cycles 1
No. of Carbon atom 16 No. of Saturated Rings 1
No. of Nitrogen atom 0 No. of Arom Atom 6
No. of Oxygen atom 7 No. of Arom Bond 6
nHA 7 APOL 47.0034
nHD 4 BPOL 27.2786
Medicinal Chemistry Properties
QED 0.527
Synth 3.552
Natural Product Likeliness 1.781
NR-PPAR-gamma 0.005
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.003
HIA 0.726
CACO-2 -5.285
Distribution
MDCK 0.000237244
BBB 0.729
PPB 0.703942
VDSS 0.566
Metabolism
FU 0.245696
CYP1A2-inh 0.028
CYP1A2-sub 0.127
CYP2c19-inh 0.015
CYP2c19-sub 0.722
CYP2c9-inh 0.001
CYP2c9-sub 0.472
CYP2d6-inh 0.01
CYP2d6-sub 0.703
CYP3a4-inh 0.014
CYP3a4-sub 0.094
Excretion
CL 3.481
T12 0.629
Toxicity
hERG 0.02
Ames 0.345
ROA 0.058
SkinSen 0.045
Carcinogencity 0.757
EI 0.01
Respiratory 0.04
NR-Aromatase 0.037
Antiviral Prediction
Antiviral Yes
Prediction 0.696673
OSADHI

A database of all the medicinal plants having PAN India presence.
Hosted at CSIR-North East Institute of Science and Technology, Jorhat

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