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PUBCHEM-ZINC05847691

 MMsINC code: MMs03414728
Type: Ionized
Formula: C14H28N2O2+2
SMILES:   O(C(=O)C1[NH+]2CCC(C1)CC2)CC[NH+](CC)CC
InChI:   InChI=1/C14H26N2O2/c1-3-15(4-2)9-10-18-14(17)13-11-12-5-7-16(13)8-6-12/h12-13H,3-11H2,1-2H3/p+2/t13-/m1/s1

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Potential Energy
Epot(MMFF94)=59.6511 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.39 g/mol  logS: -1.37945  SlogP: -1.4785  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102185  Sterimol/B1: 2.68697  Sterimol/B2: 3.18501  Sterimol/B3: 4.66719
  Sterimol/B4: 5.98752  Sterimol/L: 13.9697 
 
 Surface and Volume Properties
  Accessible surface: 523.894  Positive charged surface: 442.295  Negative charged surface: 81.5988  Volume: 279.625
  Hydrophobic surface: 406.196  Hydrophilic surface: 117.698
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 2
  Chiral centers: 1
 
 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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Parent related molecule:


MMs03414727
PUBCHEM-ZINC05847691