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

  • Home
  • About
  • Features
  • Search
    • Name
    • Therapeutics
    • Family
    • Phytochemicals
    • Natural Product Classes
  • Team
  • Contact

Chemoinformaics analysis of EVODIAMINE


Physiochemical Properties
Molecular Weight 303.365 nRot 0
Heavy Atom Molecular Weight 286.229 nRig 26
Exact Molecular Weight 303.137 nRing 5
Solubility: LogS -5.425 nHRing 3
Solubility: LogP 3.229 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 3
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 40 No. of Aliphatic Hetero Cycles 2
No. of Heavy Atom 23 No. of Aromatic Carbocycles 2
nHetero 4 No. of Aromatic Hetero Cycles 1
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 17 No. of Saturated Hetero Cycles 0
No. of Carbon atom 19 No. of Saturated Rings 0
No. of Nitrogen atom 3 No. of Arom Atom 15
No. of Oxygen atom 1 No. of Arom Bond 16
nHA 2 APOL 47.1675
nHD 1 BPOL 21.9125
Medicinal Chemistry Properties
QED 0.692
Synth 2.838
Natural Product Likeliness 0.166
NR-PPAR-gamma 0.009
Drug Likeliness
Lipinski Accepted
Pfizer Rejected
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.756
Pgp-sub 0.981
HIA 0.006
CACO-2 -4.692
Distribution
MDCK 0.0000248
BBB 0.913
PPB 0.939646
VDSS 1.096
Metabolism
FU 0.0360138
CYP1A2-inh 0.762
CYP1A2-sub 0.704
CYP2c19-inh 0.932
CYP2c19-sub 0.519
CYP2c9-inh 0.784
CYP2c9-sub 0.917
CYP2d6-inh 0.199
CYP2d6-sub 0.863
CYP3a4-inh 0.772
CYP3a4-sub 0.438
Excretion
CL 3.341
T12 0.295
Toxicity
hERG 0.225
Ames 0.039
ROA 0.917
SkinSen 0.745
Carcinogencity 0.486
EI 0.136
Respiratory 0.977
NR-Aromatase 0.341
Antiviral Prediction
Antiviral Yes
Prediction 0.804261
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)

Useful Links

  • CSIR-NEIST
  • CSIR
  • More Links

© Copyrights CSIR-NEIST. All rights reserved.