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PUBCHEM-ZINC04238132

 MMsINC code: MMs03105826
Type: Neutral
Formula: C13H25N3O3S
SMILES:   S(=O)(=O)(N1CC2(CCC1)CCN(C2)C(=O)NC(C)C)C
InChI:   InChI=1/C13H25N3O3S/c1-11(2)14-12(17)15-8-6-13(9-15)5-4-7-16(10-13)20(3,18)19/h11H,4-10H2,1-3H3,(H,14,17)/t13-/m0/s1

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Potential Energy
Epot(MMFF94)=6.95101 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 303.427 g/mol  logS: -0.89068  SlogP: 0.8519  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134572  Sterimol/B1: 2.34155  Sterimol/B2: 4.80371  Sterimol/B3: 5.3322
  Sterimol/B4: 5.40465  Sterimol/L: 13.6416 
 
 Surface and Volume Properties
  Accessible surface: 515.558  Positive charged surface: 359.584  Negative charged surface: 155.974  Volume: 287.625
  Hydrophobic surface: 380.843  Hydrophilic surface: 134.715
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.