10967/148 - QDB Compounds

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Palmer, D. S.; Llinas, A.; Morao, I.; Day, G. M.; Goodman, J. M.; Glen, R. C.; Mitchell, J. B. O. Predicting Intrinsic Aqueous Solubility by a Thermodynamic Cycle. Mol. Pharmaceutics 2008, 5, 266-279.

Compound

ID:et6
Name:diphenylhydantoin
Description:InChI codes were generated with JChem for Excel
Labels:
CAS:
InChi Code:InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)

Properties

logS0: Intrinsic aqueous solubility as logS0 [mol/L]

ValueSource or prediction
-3.86

Palmer, D. S.; Llinas, A.; Morao, I.; Day, G. M.; Goodman, J. M.; Glen, R. C.; Mitchell, J. B. O. Predicting Intrinsic Aqueous Solubility by a Thermodynamic Cycle. Molecular Pharmaceutics 2008, 5, 266-279. http://dx.doi.org/10.1021/mp7000878

-3.42

Eq8: Model for drugs or drug precursors (External validation set)

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