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PEAKDALE-ZINC01742247

 MMsINC code: MMs02615280
Type: Neutral
Formula: C11H10N2O2S
SMILES:   S(C=1NC(=O)N(C)C(=O)C=1)c1ccccc1
InChI:   InChI=1/C11H10N2O2S/c1-13-10(14)7-9(12-11(13)15)16-8-5-3-2-4-6-8/h2-7H,1H3,(H,12,15)

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Potential Energy
Epot(MMFF94)=3.85506 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.279 g/mol  logS: -3.47756  SlogP: 1.8017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.081062  Sterimol/B1: 3.01835  Sterimol/B2: 3.32268  Sterimol/B3: 3.6424
  Sterimol/B4: 5.10156  Sterimol/L: 13.3147 
 
 Surface and Volume Properties
  Accessible surface: 422.568  Positive charged surface: 229.506  Negative charged surface: 193.062  Volume: 208.5
  Hydrophobic surface: 281.449  Hydrophilic surface: 141.119
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.