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PUBCHEM-ZINC01443375

 MMsINC code: MMs02806212
Type: Neutral
Formula: C11H10N2O2S
SMILES:   S1CC2N(C1)C(=O)N(C2=O)c1ccccc1
InChI:   InChI=1/C11H10N2O2S/c14-10-9-6-16-7-12(9)11(15)13(10)8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=52.7741 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.279 g/mol  logS: -2.59858  SlogP: 1.5281  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.034819  Sterimol/B1: 2.84368  Sterimol/B2: 3.13961  Sterimol/B3: 3.92895
  Sterimol/B4: 4.04163  Sterimol/L: 13.3065 
 
 Surface and Volume Properties
  Accessible surface: 409.13  Positive charged surface: 226.056  Negative charged surface: 183.074  Volume: 204.75
  Hydrophobic surface: 281.71  Hydrophilic surface: 127.42
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.