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PUBCHEM-ZINC01999372

 MMsINC code: MMs02841819
Type: Neutral
Formula: C16H34N2O2+2
SMILES:   O(C(=O)C1[N+](C)(C)C(CCC1)C)CC[N+](CC)(CC)C
InChI:   InChI=1/C16H34N2O2/c1-7-18(6,8-2)12-13-20-16(19)15-11-9-10-14(3)17(15,4)5/h14-15H,7-13H2,1-6H3/q+2/t14-,15-/m0/s1

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Potential Energy
Epot(MMFF94)=164.591 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.46 g/mol  logS: -1.26951  SlogP: 2.0334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0987721  Sterimol/B1: 1.969  Sterimol/B2: 4.43155  Sterimol/B3: 4.6284
  Sterimol/B4: 5.3301  Sterimol/L: 15.152 
 
 Surface and Volume Properties
  Accessible surface: 525.093  Positive charged surface: 438.945  Negative charged surface: 86.1481  Volume: 311.625
  Hydrophobic surface: 401.4  Hydrophilic surface: 123.693
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 2
  Chiral centers: 2
 
 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.