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PUBCHEM-ZINC05645954

 MMsINC code: MMs03333755
Type: Neutral
Formula: C12H20N2O2
SMILES:   O=C1N(CCCC)C(=O)C=C1NCCCC
InChI:   InChI=1/C12H20N2O2/c1-3-5-7-13-10-9-11(15)14(12(10)16)8-6-4-2/h9,13H,3-8H2,1-2H3

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Potential Energy
Epot(MMFF94)=-0.103542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.304 g/mol  logS: -2.61998  SlogP: 1.4289  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0390925  Sterimol/B1: 2.7713  Sterimol/B2: 3.16506  Sterimol/B3: 3.55426
  Sterimol/B4: 5.18545  Sterimol/L: 17.6273 
 
 Surface and Volume Properties
  Accessible surface: 494.26  Positive charged surface: 353.626  Negative charged surface: 140.634  Volume: 235.75
  Hydrophobic surface: 349.038  Hydrophilic surface: 145.222
 
 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.