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IFLAB-ZINC02456665

 MMsINC code: MMs01989848
Type: Neutral
Formula: C11H20N2O3
SMILES:   OC(=O)CCC(=O)N1CCN(CC1)C(C)C
InChI:   InChI=1/C11H20N2O3/c1-9(2)12-5-7-13(8-6-12)10(14)3-4-11(15)16/h9H,3-8H2,1-2H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=35.4194 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.292 g/mol  logS: -0.11795  SlogP: 0.4038  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0895257  Sterimol/B1: 2.56154  Sterimol/B2: 2.90874  Sterimol/B3: 4.35965
  Sterimol/B4: 5.47177  Sterimol/L: 14.8094 
 
 Surface and Volume Properties
  Accessible surface: 458.225  Positive charged surface: 340.01  Negative charged surface: 118.215  Volume: 226.25
  Hydrophobic surface: 284.706  Hydrophilic surface: 173.519
 
 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.