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NCID-ZINC01587796

 MMsINC code: MMs02243497
Type: Neutral
Formula: C10H20N2O4
SMILES:   OC(=O)CN(CCN(CC)CC)CC(O)=O
InChI:   InChI=1/C10H20N2O4/c1-3-11(4-2)5-6-12(7-9(13)14)8-10(15)16/h3-8H2,1-2H3,(H,13,14)(H,15,16)

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Potential Energy
Epot(MMFF94)=63.704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.28 g/mol  logS: -0.03242  SlogP: -0.2006  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.231365  Sterimol/B1: 2.2128  Sterimol/B2: 5.07967  Sterimol/B3: 5.12535
  Sterimol/B4: 6.56081  Sterimol/L: 11.8028 
 
 Surface and Volume Properties
  Accessible surface: 470.782  Positive charged surface: 336.997  Negative charged surface: 133.785  Volume: 227.5
  Hydrophobic surface: 244.472  Hydrophilic surface: 226.31
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 6  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.