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ENAMINE-ZINC03268478

 MMsINC code: MMs01341027
Type: Neutral
Formula: C14H16N2O2S
SMILES:   S(=O)(=O)(Nc1ccc(N)cc1)c1cc(ccc1C)C
InChI:   InChI=1/C14H16N2O2S/c1-10-3-4-11(2)14(9-10)19(17,18)16-13-7-5-12(15)6-8-13/h3-9,16H,15H2,1-2H3

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Potential Energy
Epot(MMFF94)=52.5692 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 276.36 g/mol  logS: -3.40199  SlogP: 2.68644  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.261341  Sterimol/B1: 2.01742  Sterimol/B2: 3.92715  Sterimol/B3: 4.45223
  Sterimol/B4: 7.68801  Sterimol/L: 11.4654 
 
 Surface and Volume Properties
  Accessible surface: 486.789  Positive charged surface: 282.482  Negative charged surface: 204.308  Volume: 257.5
  Hydrophobic surface: 351.254  Hydrophilic surface: 135.535
 
 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.