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ENAMINE-ZINC00482280

 MMsINC code: MMs01231272
Type: Ionized
Formula: C15H14NO4S-
SMILES:   S(=O)(=O)(Nc1ccc(cc1)C)c1cc(ccc1C)C(=O)[O-]
InChI:   InChI=1/C15H15NO4S/c1-10-3-7-13(8-4-10)16-21(19,20)14-9-12(15(17)18)6-5-11(14)2/h3-9,16H,1-2H3,(H,17,18)/p-1

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Potential Energy
Epot(MMFF94)=40.5415 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: 0.146527  Sterimol/B1: 2.66042  Sterimol/B2: 4.89576  Sterimol/B3: 5.10302
  Sterimol/B4: 5.77868  Sterimol/L: 12.5815 
 
 Surface and Volume Properties
  Accessible surface: 500.204  Positive charged surface: 248.256  Negative charged surface: 251.949  Volume: 275.25
  Hydrophobic surface: 341.701  Hydrophilic surface: 158.503
 
 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:


MMs01231271
ENAMINE-ZINC00482280