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 Codamine


Physiochemical Properties
Molecular Weight 343.423 nRot 5
Heavy Atom Molecular Weight 318.223 nRig 17
Exact Molecular Weight 343.178 nRing 3
Solubility: LogS -2.556 nHRing 1
Solubility: LogP 2.359 No. of Aliphatic Rings 1
Acid Count 0 No. of Aromatic Rings 2
Base Count 1 No. of Aliphatic Carbocycles Rings 0
Atoms Count 50 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 25 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 54.3778
nHD 1 BPOL 31.9982
Medicinal Chemistry Properties
QED 0.904
Synth 2.685
Natural Product Likeliness 0.928
NR-PPAR-gamma 0.004
Drug Likeliness
Lipinski Accepted
Pfizer Accepted
GSK Accepted
Golden Triangle Accepted
Absorption
Pgp-inh 0.79
Pgp-sub 0.985
HIA 0.005
CACO-2 -4.773
Distribution
MDCK 0.0000239
BBB 0.971
PPB 0.671395
VDSS 1.743
Metabolism
FU 0.201335
CYP1A2-inh 0.225
CYP1A2-sub 0.968
CYP2c19-inh 0.189
CYP2c19-sub 0.949
CYP2c9-inh 0.025
CYP2c9-sub 0.698
CYP2d6-inh 0.394
CYP2d6-sub 0.95
CYP3a4-inh 0.113
CYP3a4-sub 0.926
Excretion
CL 13.738
T12 0.846
Toxicity
hERG 0.475
Ames 0.087
ROA 0.669
SkinSen 0.742
Carcinogencity 0.072
EI 0.012
Respiratory 0.927
NR-Aromatase 0.057
Antiviral Prediction
Antiviral Yes
Prediction 0.53714
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.