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PUBCHEM-ZINC05925311

 MMsINC code: MMs03446057
Type: Ionized
Formula: C10H19N2O4-
SMILES:   O(CC)C(=O)NCNC(C(CC)C)C(=O)[O-]
InChI:   InChI=1/C10H20N2O4/c1-4-7(3)8(9(13)14)11-6-12-10(15)16-5-2/h7-8,11H,4-6H2,1-3H3,(H,12,15)(H,13,14)/p-1/t7-,8-/m0/s1

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Potential Energy
Epot(MMFF94)=-15.6557 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 231.272 g/mol  logS: -1.14184  SlogP: -0.5558  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0651446  Sterimol/B1: 3.05054  Sterimol/B2: 3.25533  Sterimol/B3: 4.17158
  Sterimol/B4: 4.23195  Sterimol/L: 15.736 
 
 Surface and Volume Properties
  Accessible surface: 477.768  Positive charged surface: 330.544  Negative charged surface: 147.224  Volume: 228
  Hydrophobic surface: 288.99  Hydrophilic surface: 188.778
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 2  Basic groups: 0
  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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MMs03446056
PUBCHEM-ZINC05925311