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ENAMINE-ZINC01617212

 MMsINC code: MMs01242996
Type: Neutral
Formula: C15H16N2O2S
SMILES:   S(=O)(=O)(N\N=C\c1ccc(cc1C)C)c1ccccc1
InChI:   InChI=1/C15H16N2O2S/c1-12-8-9-14(13(2)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)=97.3269 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: 0.0808828  Sterimol/B1: 3.28529  Sterimol/B2: 3.56617  Sterimol/B3: 4.42875
  Sterimol/B4: 5.78061  Sterimol/L: 14.5271 
 
 Surface and Volume Properties
  Accessible surface: 507.147  Positive charged surface: 283.806  Negative charged surface: 223.34  Volume: 271.75
  Hydrophobic surface: 401.121  Hydrophilic surface: 106.026
 
 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.