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PUBCHEM-ZINC02510701

 MMsINC code: MMs02890993
Type: Neutral
Formula: C10H19NO4
SMILES:   O(C(C)(C)C)C(=O)NC(CC(OC)=O)C
InChI:   InChI=1/C10H19NO4/c1-7(6-8(12)14-5)11-9(13)15-10(2,3)4/h7H,6H2,1-5H3,(H,11,13)/t7-/m1/s1

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Potential Energy
Epot(MMFF94)=17.6178 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.265 g/mol  logS: -1.43886  SlogP: 1.4627  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0879702  Sterimol/B1: 2.03821  Sterimol/B2: 3.29408  Sterimol/B3: 3.52621
  Sterimol/B4: 7.35514  Sterimol/L: 13.2793 
 
 Surface and Volume Properties
  Accessible surface: 463.386  Positive charged surface: 343.33  Negative charged surface: 120.056  Volume: 219.25
  Hydrophobic surface: 320.612  Hydrophilic surface: 142.774
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.