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PUBCHEM-ZINC03073289

 MMsINC code: MMs02989512
Type: Neutral
Formula: C12H20N2O2
SMILES:   O=C1N(CN(C)C2CCCCC2)C(=O)CC1
InChI:   InChI=1/C12H20N2O2/c1-13(10-5-3-2-4-6-10)9-14-11(15)7-8-12(14)16/h10H,2-9H2,1H3

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Potential Energy
Epot(MMFF94)=1.10374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.304 g/mol  logS: -1.03164  SlogP: 1.3574  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.118557  Sterimol/B1: 2.34213  Sterimol/B2: 2.56988  Sterimol/B3: 4.51286
  Sterimol/B4: 5.26758  Sterimol/L: 13.4328 
 
 Surface and Volume Properties
  Accessible surface: 436.668  Positive charged surface: 327.047  Negative charged surface: 109.621  Volume: 228.25
  Hydrophobic surface: 357.037  Hydrophilic surface: 79.631
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.