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IFLAB-ZINC04942432

 MMsINC code: MMs02069567
Type: Neutral
Formula: C11H16N2O3S
SMILES:   S(=O)(=O)(NCCC(=O)N(C)C)c1ccccc1
InChI:   InChI=1/C11H16N2O3S/c1-13(2)11(14)8-9-12-17(15,16)10-6-4-3-5-7-10/h3-7,12H,8-9H2,1-2H3

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Potential Energy
Epot(MMFF94)=9.09212 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.326 g/mol  logS: -1.17136  SlogP: 0.4432  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0794401  Sterimol/B1: 2.63116  Sterimol/B2: 3.62956  Sterimol/B3: 4.25126
  Sterimol/B4: 6.39824  Sterimol/L: 13.9818 
 
 Surface and Volume Properties
  Accessible surface: 477.881  Positive charged surface: 312.355  Negative charged surface: 165.525  Volume: 234.875
  Hydrophobic surface: 362.379  Hydrophilic surface: 115.502
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.