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ENAMINE-ZINC05034819

 MMsINC code: MMs01577957
Type: Ionized
Formula: C15H14NO4S-
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C(=O)[O-])c1ccc(cc1C)C
InChI:   InChI=1/C15H15NO4S/c1-10-3-8-14(11(2)9-10)21(19,20)16-13-6-4-12(5-7-13)15(17)18/h3-9,16H,1-2H3,(H,17,18)/p-1

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Potential Energy
Epot(MMFF94)=39.1653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 304.346 g/mol  logS: -3.91096  SlogP: 1.46774  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.11242  Sterimol/B1: 2.71863  Sterimol/B2: 3.4358  Sterimol/B3: 4.21348
  Sterimol/B4: 7.47485  Sterimol/L: 14.5616 
 
 Surface and Volume Properties
  Accessible surface: 507.798  Positive charged surface: 249.95  Negative charged surface: 257.848  Volume: 274.5
  Hydrophobic surface: 344.581  Hydrophilic surface: 163.217
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Parent related molecule:


MMs01577956
ENAMINE-ZINC05034819