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PUBCHEM-ZINC00492296

 MMsINC code: MMs02692742
Type: Neutral
Formula: C16H28N2O2
SMILES:   O=C(N1CCC(CC1)C)CCC(=O)N1CCC(CC1)C
InChI:   InChI=1/C16H28N2O2/c1-13-5-9-17(10-6-13)15(19)3-4-16(20)18-11-7-14(2)8-12-18/h13-14H,3-12H2,1-2H3

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Potential Energy
Epot(MMFF94)=21.1248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.412 g/mol  logS: -2.02628  SlogP: 2.2836  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0360391  Sterimol/B1: 2.85237  Sterimol/B2: 3.44762  Sterimol/B3: 4.10694
  Sterimol/B4: 4.62334  Sterimol/L: 18.3441 
 
 Surface and Volume Properties
  Accessible surface: 560.249  Positive charged surface: 450.535  Negative charged surface: 109.714  Volume: 296.875
  Hydrophobic surface: 455.804  Hydrophilic surface: 104.445
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.