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ENAMINE-ZINC05684485

 MMsINC code: MMs01632685
Type: Neutral
Formula: C11H10N2O2S2
SMILES:   s1cccc1\C=N\NS(=O)(=O)c1ccccc1
InChI:   InChI=1/C11H10N2O2S2/c14-17(15,11-6-2-1-3-7-11)13-12-9-10-5-4-8-16-10/h1-9,13H/b12-9+

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Potential Energy
Epot(MMFF94)=69.7144 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 266.345 g/mol  logS: -3.31931  SlogP: 2.0605  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0943722  Sterimol/B1: 2.49164  Sterimol/B2: 2.96034  Sterimol/B3: 4.82619
  Sterimol/B4: 6.67028  Sterimol/L: 13.391 
 
 Surface and Volume Properties
  Accessible surface: 472.355  Positive charged surface: 214.849  Negative charged surface: 257.506  Volume: 228.875
  Hydrophobic surface: 360.712  Hydrophilic surface: 111.643
 
 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.