Scheraga, Biochemistry 6: 3791 (1967) Coefficients modified in MAP 4.0 to take into account pi contributions PEOE method: J. * Dipole moment (Modified methods based on Del Re method: G. * MR (molar refractivity after Ghose and Crippen)ĭipole moment and other charge related properties * Hammett Sigma (sigma para, meta, sigma induction (SIND), sigma star)(proprietary method) * Sterimol properties (L1, B1, B2, B3, B4, B5 and 3 more) * Percent hydrophilic surface area (proprietary method)
* Hydrophilic surface area (proprietary method) * HLB (hydrophilic lipophilic balance, proprietary method) * Log water octanol partition coefficient (4 methods, Fragment addition generally following the methods of Hansch and Leo, atom based generally following Ghose and Crippen, charge and atom based, and Q Log P after N. Partition coefficients, hydrophobicity, solubility etc: * Density (proprietary method for small molecules) * Lenth, width, depth (current, maximum and minimum calculated by geometry) * Surface area (calculated with geometry) * Molar volume (van Krevelen type method) * Van der Waals volume (calculated with geometry)
#Does hyperchem 8 pro run under windows 10 software#
This software is really amazing for QSAR studies. I am going give you a list calculations that can be made by this software below. * program capable of converting connection table formats between MOLfiles and MACROMODEL files * an unsophisticated structural/reaction searching program * chemical data base creation program (used with the companion Molecular Analysis Pro program) Routines for conformational analysis are also included. The AMBER minimizer in ChemSite Pro is also accessible from within MMP (requires ChemSite Pro). In addition, for those with WIN 95/98 or WIN NT an MM2 minimizer and minimization with MOPAC 6.0 is also included. Up to 5000 atoms and 40 molecules can be displayed on the screen at a time and minimized using the MOLY minimizer. The program can display molecules as wire frame, ball and stick, spheres and dot surface models.
Molecules are easily constructed with your mouse and pull-down menus. Molecular Modeling Pro has most of the advanced features available in expensive PC-based molecular modeling programs and more! It probably has the most physical property calculations from structure of any program sold for the PC. This advanced molecular modeling program is the result of over 20 years of development at a major chemical company.
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