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NCID-ZINC01634795

 MMsINC code: MMs02278729
Type: Neutral
Formula: C10H20N2O4
SMILES:   O(C(C)(C)C)C(=O)NC(C(=O)N(OC)C)C
InChI:   InChI=1/C10H20N2O4/c1-7(8(13)12(5)15-6)11-9(14)16-10(2,3)4/h7H,1-6H3,(H,11,14)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=47.9273 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.28 g/mol  logS: -1.46991  SlogP: 0.9194  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.103407  Sterimol/B1: 2.16275  Sterimol/B2: 3.86548  Sterimol/B3: 4.28482
  Sterimol/B4: 5.60812  Sterimol/L: 14.1811 
 
 Surface and Volume Properties
  Accessible surface: 473.876  Positive charged surface: 356.493  Negative charged surface: 117.383  Volume: 232
  Hydrophobic surface: 325.578  Hydrophilic surface: 148.298
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.