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NCID-ZINC01579628

 MMsINC code: MMs02237413
Type: Neutral
Formula: C9H18N2O3
SMILES:   OC(=O)CCNC(=O)C(N)CC(C)C
InChI:   InChI=1/C9H18N2O3/c1-6(2)5-7(10)9(14)11-4-3-8(12)13/h6-7H,3-5,10H2,1-2H3,(H,11,14)(H,12,13)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=19.8596 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.254 g/mol  logS: -0.89165  SlogP: -0.0493  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0848878  Sterimol/B1: 2.22176  Sterimol/B2: 2.49007  Sterimol/B3: 4.77494
  Sterimol/B4: 5.33737  Sterimol/L: 14.5042 
 
 Surface and Volume Properties
  Accessible surface: 442.404  Positive charged surface: 310.261  Negative charged surface: 132.143  Volume: 201.75
  Hydrophobic surface: 211.435  Hydrophilic surface: 230.969
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.