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PUBCHEM-ZINC05914606

 MMsINC code: MMs03442255
Type: Neutral
Formula: C7H14N2O4
SMILES:   O(C(=O)NCCCNC(OC)=O)C
InChI:   InChI=1/C7H14N2O4/c1-12-6(10)8-4-3-5-9-7(11)13-2/h3-5H2,1-2H3,(H,8,10)(H,9,11)

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Potential Energy
Epot(MMFF94)=-25.6315 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 190.199 g/mol  logS: -0.29109  SlogP: 0.0885  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0175515  Sterimol/B1: 2.37499  Sterimol/B2: 2.3755  Sterimol/B3: 2.73478
  Sterimol/B4: 3.05744  Sterimol/L: 16.6779 
 
 Surface and Volume Properties
  Accessible surface: 429.094  Positive charged surface: 356.591  Negative charged surface: 72.5028  Volume: 180.25
  Hydrophobic surface: 288.757  Hydrophilic surface: 140.337
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.