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PUBCHEM-ZINC05957583

 MMsINC code: MMs03460394
Type: Ionized
Formula: C10H23N2O2+
SMILES:   O=C([O-])C([NH+](C)C)CCCC[NH+](C)C
InChI:   InChI=1/C10H22N2O2/c1-11(2)8-6-5-7-9(10(13)14)12(3)4/h9H,5-8H2,1-4H3,(H,13,14)/p+1/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=40.6244 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.306 g/mol  logS: -0.19914  SlogP: -3.4358  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0976935  Sterimol/B1: 2.60655  Sterimol/B2: 3.36306  Sterimol/B3: 4.27378
  Sterimol/B4: 5.37381  Sterimol/L: 13.978 
 
 Surface and Volume Properties
  Accessible surface: 458.093  Positive charged surface: 394.149  Negative charged surface: 63.9437  Volume: 226.625
  Hydrophobic surface: 283.575  Hydrophilic surface: 174.518
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 2  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:


MMs03460393
PUBCHEM-ZINC05957583