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PUBCHEM-ZINC03160608

 MMsINC code: MMs03003314
Type: Neutral
Formula: C12H24N2O2
SMILES:   O=C(NC(C)C)CCCCC(=O)NC(C)C
InChI:   InChI=1/C12H24N2O2/c1-9(2)13-11(15)7-5-6-8-12(16)14-10(3)4/h9-10H,5-8H2,1-4H3,(H,13,15)(H,14,16)

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Potential Energy
Epot(MMFF94)=6.00794 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.336 g/mol  logS: -1.4119  SlogP: 1.596  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0266985  Sterimol/B1: 2.54803  Sterimol/B2: 2.69697  Sterimol/B3: 3.15252
  Sterimol/B4: 4.57971  Sterimol/L: 18.1234 
 
 Surface and Volume Properties
  Accessible surface: 530.231  Positive charged surface: 397.619  Negative charged surface: 132.612  Volume: 250.125
  Hydrophobic surface: 364.357  Hydrophilic surface: 165.874
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.