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PUBCHEM-ZINC03160529

 MMsINC code: MMs03003296
Type: Neutral
Formula: C9H12N2O3S
SMILES:   S(=O)(=O)(NC)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C9H12N2O3S/c1-7(12)11-8-3-5-9(6-4-8)15(13,14)10-2/h3-6,10H,1-2H3,(H,11,12)

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Potential Energy
Epot(MMFF94)=20.3751 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.272 g/mol  logS: -1.43231  SlogP: 0.5531  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0628607  Sterimol/B1: 3.09217  Sterimol/B2: 3.58338  Sterimol/B3: 3.91964
  Sterimol/B4: 4.17603  Sterimol/L: 13.2085 
 
 Surface and Volume Properties
  Accessible surface: 420.286  Positive charged surface: 255.169  Negative charged surface: 165.116  Volume: 198.875
  Hydrophobic surface: 278.634  Hydrophilic surface: 141.652
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.