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 Hypoglycin


Physiochemical Properties
Molecular Weight 141.17 nRot 3
Heavy Atom Molecular Weight 130.082 nRig 63
Exact Molecular Weight 141.079 nRing 1
Solubility: LogS -1.672 nHRing 0
Solubility: LogP -0.266 No. of Aliphatic Rings 1
Acid Count 1 No. of Aromatic Rings 0
Base Count 1 No. of Aliphatic Carbocycles Rings 1
Atoms Count 21 No. of Aliphatic Hetero Cycles 0
No. of Heavy Atom 10 No. of Aromatic Carbocycles 0
nHetero 3 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 1
No. of Hydrogen atom 11 No. of Saturated Hetero Cycles 0
No. of Carbon atom 7 No. of Saturated Rings 1
No. of Nitrogen atom 1 No. of Arom Atom 0
No. of Oxygen atom 2 No. of Arom Bond 0
nHA 2 APOL 21.7287
nHD 2 BPOL 11.3333
Medicinal Chemistry Properties
QED 0.047
Synth 7.612
Natural Product Likeliness 2.067
NR-PPAR-gamma 0.846
Drug Likeliness
Lipinski Rejected
Pfizer Accepted
GSK Rejected
Golden Triangle Rejected
Absorption
Pgp-inh 0.982
Pgp-sub 0.019
HIA 1
CACO-2 -6.009
Distribution
MDCK 0.000549945
BBB 0.085
PPB 0.562723
VDSS -0.624
Metabolism
FU 0.133257
CYP1A2-inh 0
CYP1A2-sub 0.023
CYP2c19-inh 0
CYP2c19-sub 0.051
CYP2c9-inh 0
CYP2c9-sub 0.028
CYP2d6-inh 0
CYP2d6-sub 0.063
CYP3a4-inh 0.004
CYP3a4-sub 0.001
Excretion
CL -0.543
T12 0.004
Toxicity
hERG 0.001
Ames 0.068
ROA 0.289
SkinSen 0
Carcinogencity 0.017
EI 0
Respiratory 0.008
NR-Aromatase 0.643
Antiviral Prediction
Antiviral No
Prediction 0.920586
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.