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NCID-ZINC01655994

 MMsINC code: MMs02294512
Type: Neutral
Formula: C13H14N2O2S
SMILES:   S(=O)(=O)(Nc1ccccc1)c1ccc(cc1)CN
InChI:   InChI=1/C13H14N2O2S/c14-10-11-6-8-13(9-7-11)18(16,17)15-12-4-2-1-3-5-12/h1-9,15H,10,14H2

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Potential Energy
Epot(MMFF94)=34.3363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.333 g/mol  logS: -2.71164  SlogP: 2.2125  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.165092  Sterimol/B1: 2.49956  Sterimol/B2: 3.65607  Sterimol/B3: 4.09278
  Sterimol/B4: 7.49805  Sterimol/L: 12.8472 
 
 Surface and Volume Properties
  Accessible surface: 473.268  Positive charged surface: 276.971  Negative charged surface: 196.297  Volume: 241.25
  Hydrophobic surface: 319.011  Hydrophilic surface: 154.257
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs02294513
NCID-ZINC01655994