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PUBCHEM-ZINC06520121

 MMsINC code: MMs03778639
Type: Neutral
Formula: C11H10N2O2S
SMILES:   S(C=1NC(=O)NC(=O)C=1C)c1ccccc1
InChI:   InChI=1/C11H10N2O2S/c1-7-9(14)12-11(15)13-10(7)16-8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13,14,15)

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Potential Energy
Epot(MMFF94)=2.79358 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.279 g/mol  logS: -3.6005  SlogP: 1.8496  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121864  Sterimol/B1: 2.12877  Sterimol/B2: 2.76668  Sterimol/B3: 4.0086
  Sterimol/B4: 6.96784  Sterimol/L: 12.1407 
 
 Surface and Volume Properties
  Accessible surface: 415.856  Positive charged surface: 211.222  Negative charged surface: 204.634  Volume: 208.125
  Hydrophobic surface: 239.151  Hydrophilic surface: 176.705
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.