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PUBCHEM-ZINC04694330

 MMsINC code: MMs03158137
Type: Neutral
Formula: C12H20N2O2
SMILES:   O=C(N1CCCC1)C(=O)NC1CCCCC1
InChI:   InChI=1/C12H20N2O2/c15-11(12(16)14-8-4-5-9-14)13-10-6-2-1-3-7-10/h10H,1-9H2,(H,13,15)

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Potential Energy
Epot(MMFF94)=39.738 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.304 g/mol  logS: -1.85321  SlogP: 1.0577  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0611301  Sterimol/B1: 3.06686  Sterimol/B2: 3.14986  Sterimol/B3: 3.55941
  Sterimol/B4: 4.25962  Sterimol/L: 14.8543 
 
 Surface and Volume Properties
  Accessible surface: 460.223  Positive charged surface: 364.557  Negative charged surface: 95.6663  Volume: 228.25
  Hydrophobic surface: 388.444  Hydrophilic surface: 71.779
 
 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.