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PUBCHEM-ZINC05763601

 MMsINC code: MMs03376950
Type: Neutral
Formula: C15H32N2O2+2
SMILES:   O(C(=O)C1[N+](C)(C)C(CCC1)C)CC([N+](C)(C)C)C
InChI:   InChI=1/C15H32N2O2/c1-12-9-8-10-14(17(12,6)7)15(18)19-11-13(2)16(3,4)5/h12-14H,8-11H2,1-7H3/q+2/t12-,13-,14+/m1/s1

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Potential Energy
Epot(MMFF94)=166.483 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 272.433 g/mol  logS: -0.9423  SlogP: 1.6417  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153866  Sterimol/B1: 1.969  Sterimol/B2: 3.9621  Sterimol/B3: 4.79762
  Sterimol/B4: 5.59154  Sterimol/L: 13.4899 
 
 Surface and Volume Properties
  Accessible surface: 499.921  Positive charged surface: 433.869  Negative charged surface: 66.0526  Volume: 296
  Hydrophobic surface: 382.424  Hydrophilic surface: 117.497
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 2
  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.