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ANALYTICONDISCOVERY-ZINC04270747

 MMsINC code: MMs00035103
Type: Neutral
Formula: C10H16N2O4
SMILES:   O(C(=O)C1N(CCN(C1)C(=O)C)C(=O)C)C
InChI:   InChI=1/C10H16N2O4/c1-7(13)11-4-5-12(8(2)14)9(6-11)10(15)16-3/h9H,4-6H2,1-3H3/t9-/m1/s1

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Potential Energy
Epot(MMFF94)=83.0986 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 228.248 g/mol  logS: -0.29543  SlogP: -0.7614  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0784166  Sterimol/B1: 2.78498  Sterimol/B2: 3.39393  Sterimol/B3: 3.53597
  Sterimol/B4: 6.05501  Sterimol/L: 12.6246 
 
 Surface and Volume Properties
  Accessible surface: 430.732  Positive charged surface: 319.745  Negative charged surface: 110.987  Volume: 212.625
  Hydrophobic surface: 338.2  Hydrophilic surface: 92.532
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.