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

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Chemoinformaics analysis of Euryanoside


Physiochemical Properties
Molecular Weight 620.56 nRot 7
Heavy Atom Molecular Weight 588.304 nRig 31
Exact Molecular Weight 620.174 nRing 5
Solubility: LogS -4.014 nHRing 3
Solubility: LogP 0.121 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 76 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 44 No. of Aromatic Carbocycles 2
nHetero 15 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 32 No. of Saturated Hetero Cycles 2
No. of Carbon atom 29 No. of Saturated Rings 2
No. of Nitrogen atom 0 No. of Arom Atom 16
No. of Oxygen atom 15 No. of Arom Bond 17
nHA 15 APOL 81.7974
nHD 7 BPOL 44.2546
Medicinal Chemistry Properties
QED 0.165
Synth 4.713
Natural Product Likeliness 2.086
NR-PPAR-gamma 0.864
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.001
Pgp-sub 0.992
HIA 0.957
CACO-2 -6.289
Distribution
MDCK 0.0000823
BBB 0.2
PPB 0.773086
VDSS 0.408
Metabolism
FU 0.37803
CYP1A2-inh 0.01
CYP1A2-sub 0.034
CYP2c19-inh 0.015
CYP2c19-sub 0.06
CYP2c9-inh 0.003
CYP2c9-sub 0.343
CYP2d6-inh 0.007
CYP2d6-sub 0.157
CYP3a4-inh 0.016
CYP3a4-sub 0.019
Excretion
CL 1.318
T12 0.34
Toxicity
hERG 0.031
Ames 0.627
ROA 0.031
SkinSen 0.013
Carcinogencity 0.49
EI 0.008
Respiratory 0.017
NR-Aromatase 0.922
Antiviral Prediction
Antiviral Yes
Prediction 0.883177
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