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ENAMINE-ZINC06509658

 MMsINC code: MMs01666073
Type: Ionized
Formula: C11H14NO4S-
SMILES:   S(=O)(=O)(N(C)C)c1cc(cc(C)c1C)C(=O)[O-]
InChI:   InChI=1/C11H15NO4S/c1-7-5-9(11(13)14)6-10(8(7)2)17(15,16)12(3)4/h5-6H,1-4H3,(H,13,14)/p-1

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Potential Energy
Epot(MMFF94)=27.5817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.302 g/mol  logS: -2.16268  SlogP: -0.08276  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.167036  Sterimol/B1: 2.70902  Sterimol/B2: 3.09737  Sterimol/B3: 4.61508
  Sterimol/B4: 7.35518  Sterimol/L: 11.0301 
 
 Surface and Volume Properties
  Accessible surface: 435.711  Positive charged surface: 244.741  Negative charged surface: 190.97  Volume: 230.625
  Hydrophobic surface: 288.058  Hydrophilic surface: 147.653
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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:


MMs01666072
ENAMINE-ZINC06509658