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PUBCHEM-ZINC05843193

 MMsINC code: MMs03411946
Type: Neutral
Formula: C12H20N2O2-2
SMILES:   OC(=O)C1CCCCC1[N-]C1[N-]CCCC1
InChI:   InChI=1/C12H20N2O2/c15-12(16)9-5-1-2-6-10(9)14-11-7-3-4-8-13-11/h9-11H,1-8H2,(H,15,16)/q-2/t9-,10-,11-/m1/s1

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Potential Energy
Epot(MMFF94)=40.0188 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 224.304 g/mol  logS: -0.82977  SlogP: 2.8872  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.068496  Sterimol/B1: 2.7587  Sterimol/B2: 3.02704  Sterimol/B3: 3.16868
  Sterimol/B4: 6.64653  Sterimol/L: 12.4572 
 
 Surface and Volume Properties
  Accessible surface: 449.227  Positive charged surface: 337.257  Negative charged surface: 111.971  Volume: 226.625
  Hydrophobic surface: 355.074  Hydrophilic surface: 94.153
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  Chiral centers: 3
 
 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.