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 CORYDINE


Physiochemical Properties
Molecular Weight 341.407 nRot 3
Heavy Atom Molecular Weight 318.223 nRig 20
Exact Molecular Weight 341.163 nRing 4
Solubility: LogS -2.144 nHRing 1
Solubility: LogP 2.428 No. of Aliphatic Rings 2
Acid Count 0 No. of Aromatic Rings 2
Base Count 1 No. of Aliphatic Carbocycles Rings 1
Atoms Count 48 No. of Aliphatic Hetero Cycles 1
No. of Heavy Atom 25 No. of Aromatic Carbocycles 2
nHetero 5 No. of Aromatic Hetero Cycles 0
nBridge Head 0 No. Saturated Carbocycles 0
No. of Hydrogen atom 23 No. of Saturated Hetero Cycles 0
No. of Carbon atom 20 No. of Saturated Rings 0
No. of Nitrogen atom 1 No. of Arom Atom 12
No. of Oxygen atom 4 No. of Arom Bond 12
nHA 5 APOL 53.0442
nHD 1 BPOL 29.9918
Medicinal Chemistry Properties
QED 0.929
Synth 3.05
Natural Product Likeliness 1.501
NR-PPAR-gamma 0.02
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.102
Pgp-sub 0.65
HIA 0.004
CACO-2 -4.727
Distribution
MDCK 0.0000171
BBB 0.986
PPB 0.89084
VDSS 1.518
Metabolism
FU 0.0981596
CYP1A2-inh 0.161
CYP1A2-sub 0.975
CYP2c19-inh 0.059
CYP2c19-sub 0.935
CYP2c9-inh 0.009
CYP2c9-sub 0.671
CYP2d6-inh 0.089
CYP2d6-sub 0.927
CYP3a4-inh 0.087
CYP3a4-sub 0.924
Excretion
CL 8
T12 0.425
Toxicity
hERG 0.612
Ames 0.355
ROA 0.663
SkinSen 0.343
Carcinogencity 0.044
EI 0.01
Respiratory 0.889
NR-Aromatase 0.289
Antiviral Prediction
Antiviral Yes
Prediction 0.675335
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.