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ENAMINE-ZINC03274041

MMsINC code: MMs01344314

Type: Neutral
Formula: C15H18N2O2S
SMILES:   S(=O)(=O)(c1ccc(cc1)C(C)C)c1ccc(NN)cc1
InChI:   InChI=1/C15H18N2O2S/c1-11(2)12-3-7-14(8-4-12)20(18,19)15-9-5-13(17-16)6-10-15/h3-11,17H,16H2,1-2H3

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Potential Energy
Epot(MMFF94)=81.7326 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.387 g/mol  logS: -4.5546  SlogP: 2.9284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109534  Sterimol/B1: 3.76157  Sterimol/B2: 4.07624  Sterimol/B3: 4.17516
  Sterimol/B4: 5.03787  Sterimol/L: 15.8139 
 
 Surface and Volume Properties
  Accessible surface: 527.373  Positive charged surface: 301.099  Negative charged surface: 226.273  Volume: 277.5
  Hydrophobic surface: 337.344  Hydrophilic surface: 190.029
 
 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: no related molecules available.