ChemDes

  Use SMILES to calculate molecular descriptors

  Upload file (Formats: *.smi, *.sdf)

• Usage: Click here for help when you meet a problem.
• Batch computing limit :1000 molecules at one time.
• Molecular descriptor library (Details>>>) :
  Connectivity descriptors (12)
  Constitutional descriptors (106)
  MOE-type descriptors (58)
  CPSA descriptors (1)
  Molecular property descriptors (4)
  Topological descriptors (7)
• More information about RDKit