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CHEMBRIDGE-ZINC04555302

 MMsINC code: MMs00771638
Type: Neutral
Formula: C10H17N3O3
SMILES:   O1CCN(CC1)CN1C(=O)C(NC1=O)(C)C
InChI:   InChI=1/C10H17N3O3/c1-10(2)8(14)13(9(15)11-10)7-12-3-5-16-6-4-12/h3-7H2,1-2H3,(H,11,15)

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Potential Energy
Epot(MMFF94)=19.4173 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 227.264 g/mol  logS: -0.58378  SlogP: -0.3935  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.159578  Sterimol/B1: 2.99754  Sterimol/B2: 3.45667  Sterimol/B3: 4.0666
  Sterimol/B4: 4.71943  Sterimol/L: 12.5071 
 
 Surface and Volume Properties
  Accessible surface: 427.79  Positive charged surface: 324.253  Negative charged surface: 103.538  Volume: 212.625
  Hydrophobic surface: 280.501  Hydrophilic surface: 147.289
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.