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PUBCHEM-ZINC00388961

 MMsINC code: MMs02671233
Type: Neutral
Formula: C11H22N2O2
SMILES:   O(CC(NC(=O)NC1CCCCC1)C)C
InChI:   InChI=1/C11H22N2O2/c1-9(8-15-2)12-11(14)13-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3,(H2,12,13,14)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=-6.07749 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.309 g/mol  logS: -1.54532  SlogP: 1.6532  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0839333  Sterimol/B1: 2.17638  Sterimol/B2: 2.53712  Sterimol/B3: 4.80289
  Sterimol/B4: 5.27858  Sterimol/L: 15.2536 
 
 Surface and Volume Properties
  Accessible surface: 475.251  Positive charged surface: 399.813  Negative charged surface: 75.4387  Volume: 228.125
  Hydrophobic surface: 399.632  Hydrophilic surface: 75.619
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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.