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ENAMINE-ZINC02294363

 MMsINC code: MMs01249517
Type: Neutral
Formula: C13H20N2O2
SMILES:   O=C1N(CCCCCC)C(=O)NC2=C1CCC2
InChI:   InChI=1/C13H20N2O2/c1-2-3-4-5-9-15-12(16)10-7-6-8-11(10)14-13(15)17/h2-9H2,1H3,(H,14,17)

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Potential Energy
Epot(MMFF94)=-5.97678 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 236.315 g/mol  logS: -2.80454  SlogP: 2.5565  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0558071  Sterimol/B1: 2.49894  Sterimol/B2: 3.20607  Sterimol/B3: 4.45253
  Sterimol/B4: 5.05215  Sterimol/L: 16.2133 
 
 Surface and Volume Properties
  Accessible surface: 484.584  Positive charged surface: 355.223  Negative charged surface: 129.36  Volume: 238.875
  Hydrophobic surface: 366.352  Hydrophilic surface: 118.232
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.