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PUBCHEM-ZINC06022881

 MMsINC code: MMs03498180
Type: Neutral
Formula: C11H20N2O4
SMILES:   O(C(C)(C)C)C(=O)NC1CCCNC1C(O)=O
InChI:   InChI=1/C11H20N2O4/c1-11(2,3)17-10(16)13-7-5-4-6-12-8(7)9(14)15/h7-8,12H,4-6H2,1-3H3,(H,13,16)(H,14,15)/t7-,8+/m0/s1

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Potential Energy
Epot(MMFF94)=32.4389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 244.291 g/mol  logS: -1.13672  SlogP: 0.7163  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127582  Sterimol/B1: 2.66394  Sterimol/B2: 4.21659  Sterimol/B3: 4.30437
  Sterimol/B4: 5.61823  Sterimol/L: 12.5788 
 
 Surface and Volume Properties
  Accessible surface: 470.326  Positive charged surface: 336.463  Negative charged surface: 133.863  Volume: 235.5
  Hydrophobic surface: 278.879  Hydrophilic surface: 191.447
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.