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PUBCHEM-ZINC05509086

 MMsINC code: MMs03291160
Type: Ionized
Formula: C5H11N2O4S-
SMILES:   S(=O)(=O)(N(C)C)NCCC(=O)[O-]
InChI:   InChI=1/C5H12N2O4S/c1-7(2)12(10,11)6-4-3-5(8)9/h6H,3-4H2,1-2H3,(H,8,9)/p-1

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Potential Energy
Epot(MMFF94)=-52.4733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 195.219 g/mol  logS: 0.68992  SlogP: -2.4776  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.187336  Sterimol/B1: 2.18908  Sterimol/B2: 3.76619  Sterimol/B3: 4.00198
  Sterimol/B4: 5.36472  Sterimol/L: 11.3198 
 
 Surface and Volume Properties
  Accessible surface: 361.76  Positive charged surface: 219.062  Negative charged surface: 142.697  Volume: 161.625
  Hydrophobic surface: 177.163  Hydrophilic surface: 184.597
 
 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:


MMs03291159
PUBCHEM-ZINC05509086