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

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Chemoinformaics analysis of EUROPINE


Physiochemical Properties
Molecular Weight 329.393 nRot 6
Heavy Atom Molecular Weight 302.177 nRig 10
Exact Molecular Weight 329.184 nRing 2
Solubility: LogS -1.371 nHRing 2
Solubility: LogP 0.616 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 50 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 23 No. of Aromatic Carbocycles 0
nHetero 7 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 27 No. of Saturated Hetero Cycles 1
No. of Carbon atom 16 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 6 No. of Arom Bond 0
nHA 7 APOL 50.6354
nHD 3 BPOL 33.1366
Medicinal Chemistry Properties
QED 0.444
Synth 4.535
Natural Product Likeliness 1.905
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.03
HIA 0.661
CACO-2 -5.102
Distribution
MDCK 0.000387603
BBB 0.342
PPB 0.207726
VDSS 0.552
Metabolism
FU 0.798482
CYP1A2-inh 0.009
CYP1A2-sub 0.077
CYP2c19-inh 0.01
CYP2c19-sub 0.782
CYP2c9-inh 0.002
CYP2c9-sub 0.083
CYP2d6-inh 0.005
CYP2d6-sub 0.238
CYP3a4-inh 0.004
CYP3a4-sub 0.331
Excretion
CL 3.46
T12 0.357
Toxicity
hERG 0.01
Ames 0.675
ROA 0.573
SkinSen 0.046
Carcinogencity 0.97
EI 0.008
Respiratory 0.955
NR-Aromatase 0.009
Antiviral Prediction
Antiviral Yes
Prediction 0.843272
OSADHI

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

Our Other Tools

  • Molecular Property Diagnostic Suite (MPDS)
  • North East India Medicinal Plant Database (NEI-MPDB)
  • Aromatic–Aromatic Interactions Database (A2ID)
  • Cation Aromatic Database (CAD)

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