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 Enicoflavine


Physiochemical Properties
Molecular Weight 211.217 nRot 3
Heavy Atom Molecular Weight 198.113 nRig 10
Exact Molecular Weight 211.084 nRing 1
Solubility: LogS -1.391 nHRing 1
Solubility: LogP -0.256 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 0
Base Count 0 No. of Aliphatic Carbocycles Rings 0
Atoms Count 28 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 15 No. of Aromatic Carbocycles 0
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 13 No. of Saturated Hetero Cycles 1
No. of Carbon atom 10 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 4 No. of Arom Bond 0
nHA 5 APOL 29.6763
nHD 2 BPOL 15.9437
Medicinal Chemistry Properties
QED 0.295
Synth 5.25
Natural Product Likeliness 1.507
NR-PPAR-gamma 0.63
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0
Pgp-sub 0.002
HIA 0.34
CACO-2 -4.721
Distribution
MDCK 0.0000984
BBB 0.962
PPB 0.491751
VDSS 0.741
Metabolism
FU 0.64664
CYP1A2-inh 0.01
CYP1A2-sub 0.299
CYP2c19-inh 0.022
CYP2c19-sub 0.064
CYP2c9-inh 0.007
CYP2c9-sub 0.16
CYP2d6-inh 0.003
CYP2d6-sub 0.164
CYP3a4-inh 0.035
CYP3a4-sub 0.161
Excretion
CL 5.244
T12 0.555
Toxicity
hERG 0.024
Ames 0.307
ROA 0.04
SkinSen 0.583
Carcinogencity 0.057
EI 0.334
Respiratory 0.826
NR-Aromatase 0.374
Antiviral Prediction
Antiviral No
Prediction 0.922213
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.