RDkit Descriptors Generator

H2U RDkit File

This version needs Smiles structure List. If you already have Smiles, select RDKit tab. Select Output Option, Paste one Smiles string then click Add to File Button. (Professional version will accept Batch conversion)You will see the sdf format and table at File tab. Select all and paste them to text editor or spreadsheet.
RDKit
Smiles

SDF file SMILES Formula Weight
Chi FractionCSP3 HallKierAlpha Kappa
LabuteASA Lipinski Number TPSA
RDKit Finger Print
SDF Data

Table for Spread Sheet