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PUBCHEM-ZINC05751465

 MMsINC code: MMs03370848
Type: Neutral
Formula: C15H30N2O2+2
SMILES:   O(C(=O)C1[N+]2(CCC(C1)CC2)C)CC([N+](C)(C)C)C
InChI:   InChI=1/C15H30N2O2/c1-12(16(2,3)4)11-19-15(18)14-10-13-6-8-17(14,5)9-7-13/h12-14H,6-11H2,1-5H3/q+2/t12-,13-,14+,17+/m1/s1

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Potential Energy
Epot(MMFF94)=151.102 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.417 g/mol  logS: -0.84026  SlogP: 1.2532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.139378  Sterimol/B1: 2.48692  Sterimol/B2: 2.55174  Sterimol/B3: 4.65633
  Sterimol/B4: 5.96008  Sterimol/L: 13.4493 
 
 Surface and Volume Properties
  Accessible surface: 492.525  Positive charged surface: 441.226  Negative charged surface: 51.2988  Volume: 286.5
  Hydrophobic surface: 392.82  Hydrophilic surface: 99.705
 
 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.