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PUBCHEM-ZINC02568281

 MMsINC code: MMs02902324
Type: Neutral
Formula: C9H18N2O4
SMILES:   O(C(C)(C)C)C(=O)NCC(=O)N(OC)C
InChI:   InChI=1/C9H18N2O4/c1-9(2,3)15-8(13)10-6-7(12)11(4)14-5/h6H2,1-5H3,(H,10,13)

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Potential Energy
Epot(MMFF94)=40.5827 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 218.253 g/mol  logS: -1.1427  SlogP: 0.5309  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.059214  Sterimol/B1: 2.07065  Sterimol/B2: 3.98114  Sterimol/B3: 4.0928
  Sterimol/B4: 4.84749  Sterimol/L: 14.3372 
 
 Surface and Volume Properties
  Accessible surface: 458.08  Positive charged surface: 347.959  Negative charged surface: 110.121  Volume: 215.625
  Hydrophobic surface: 308.342  Hydrophilic surface: 149.738
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.