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PUBCHEM-ZINC01447075

 MMsINC code: MMs02806512
Type: Neutral
Formula: C12H22N2O2
SMILES:   O=C(NC(C(C)C)C(=O)N)C1CCCCC1
InChI:   InChI=1/C12H22N2O2/c1-8(2)10(11(13)15)14-12(16)9-6-4-3-5-7-9/h8-10H,3-7H2,1-2H3,(H2,13,15)(H,14,16)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=30.7653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 226.32 g/mol  logS: -2.62694  SlogP: 1.1928  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.15573  Sterimol/B1: 2.64536  Sterimol/B2: 2.73984  Sterimol/B3: 4.92831
  Sterimol/B4: 5.79693  Sterimol/L: 12.5265 
 
 Surface and Volume Properties
  Accessible surface: 461.067  Positive charged surface: 335.353  Negative charged surface: 125.714  Volume: 233.75
  Hydrophobic surface: 310.804  Hydrophilic surface: 150.263
 
 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.