ChemDBsoft Academic
ChemDBsoft is chemical database software for management of chemistry databases of any size. Data management features include: free structure drawer, 70+ template structures, fast and easy database creation, simple data views and browsing, easy database updates, import and export into various... Import/Export formats supported: SDF, MOL, JC, JCAMP, TXT, LST, and NIST MS Calculation and prediction tools include: prediction of lipophilicity, solubility and the corresponding pH-dependent profiles and drug absorption (QSAR properties LogP, LogC, LogSw/Solubility and FA/absorption); diversity...
http://www.chemdbsoft.com/demo/ChemDBsoft-demo.zip - 4Mb - Download - Screenshot

Kintecus
Powerful Industrial Strength/Research Grade chemical modeling, chemical kinetics and equilibrium software for simulation of combustion, nuclear, biological, enzyme, atmospheric and many other processes via a graphical interface. Kintecus features the ability to quickly run Chemkin/SENKIN II/III... Heterogeneous chemistry is also easily modeled. ... Note that Kintecus will actually fit the parameters at EXACTLY the time your data was measured with confidence bands/uncertainty analysis. ... Unlike other programs, Kintecus DOES NOT interpolate a function against your data and then fit the...
http://www.kintecus.com/kintecus.zip - 8Mb - Download - Screenshot