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ENAMINE-ZINC03526621

 MMsINC code: MMs01491879
Type: Neutral
Formula: C15H16N2O2S
SMILES:   S(=O)(=O)(N\N=C\c1cc(ccc1C)C)c1ccccc1
InChI:   InChI=1/C15H16N2O2S/c1-12-8-9-13(2)14(10-12)11-16-17-20(18,19)15-6-4-3-5-7-15/h3-11,17H,1-2H3/b16-11+

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Potential Energy
Epot(MMFF94)=96.9418 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.371 g/mol  logS: -4.46048  SlogP: 2.61584  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112746  Sterimol/B1: 2.97663  Sterimol/B2: 4.3349  Sterimol/B3: 4.75135
  Sterimol/B4: 5.43082  Sterimol/L: 14.3958 
 
 Surface and Volume Properties
  Accessible surface: 508.945  Positive charged surface: 279.499  Negative charged surface: 229.445  Volume: 272.625
  Hydrophobic surface: 403.348  Hydrophilic surface: 105.597
 
 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.