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PUBCHEM-ZINC06439132

 MMsINC code: MMs03729674
Type: Ionized
Formula: C10H24N2O3+2
SMILES:   O(C(=O)CC(O)C([NH3+])CCCC[NH3+])CC
InChI:   InChI=1/C10H22N2O3/c1-2-15-10(14)7-9(13)8(12)5-3-4-6-11/h8-9,13H,2-7,11-12H2,1H3/p+2/t8-,9-/m1/s1

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Potential Energy
Epot(MMFF94)=13.6907 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.313 g/mol  logS: 0.05545  SlogP: -1.6768  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0473451  Sterimol/B1: 2.35211  Sterimol/B2: 2.40499  Sterimol/B3: 4.10821
  Sterimol/B4: 4.95503  Sterimol/L: 17.8458 
 
 Surface and Volume Properties
  Accessible surface: 504.209  Positive charged surface: 432.418  Negative charged surface: 71.7904  Volume: 232.5
  Hydrophobic surface: 287.215  Hydrophilic surface: 216.994
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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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Parent related molecule:


MMs03729673
PUBCHEM-ZINC06439132