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CHEMBRIDGE-ZINC02086644

 MMsINC code: MMs00702046
Type: Neutral
Formula: C11H22N2O2
SMILES:   O=C(NC(CNC(=O)CCC)C)CCC
InChI:   InChI=1/C11H22N2O2/c1-4-6-10(14)12-8-9(3)13-11(15)7-5-2/h9H,4-8H2,1-3H3,(H,12,14)(H,13,15)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=6.48382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.309 g/mol  logS: -1.71159  SlogP: 1.2075  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0437879  Sterimol/B1: 2.80626  Sterimol/B2: 2.94933  Sterimol/B3: 2.9731
  Sterimol/B4: 7.64518  Sterimol/L: 15.382 
 
 Surface and Volume Properties
  Accessible surface: 500.401  Positive charged surface: 376.934  Negative charged surface: 123.468  Volume: 232.5
  Hydrophobic surface: 358.129  Hydrophilic surface: 142.272
 
 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.