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ENAMINE-ZINC03176435

 MMsINC code: MMs01295920
Type: Neutral
Formula: C12H23N3O4S
SMILES:   S(=O)(=O)(N(C(C)C)C(=O)NC(=O)NC1CCCCC1)C
InChI:   InChI=1/C12H23N3O4S/c1-9(2)15(20(3,18)19)12(17)14-11(16)13-10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3,(H2,13,14,16,17)

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Potential Energy
Epot(MMFF94)=-27.5176 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.399 g/mol  logS: -2.07552  SlogP: 1.4083  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0670506  Sterimol/B1: 2.0711  Sterimol/B2: 3.16181  Sterimol/B3: 4.08333
  Sterimol/B4: 7.35685  Sterimol/L: 15.056 
 
 Surface and Volume Properties
  Accessible surface: 533.105  Positive charged surface: 357.202  Negative charged surface: 175.903  Volume: 278.625
  Hydrophobic surface: 377.302  Hydrophilic surface: 155.803
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.