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PUBCHEM-ZINC02734577

 MMsINC code: MMs02913153
Type: Neutral
Formula: C10H19NO4
SMILES:   O(C(=O)C(NC(=O)COC)CC(C)C)C
InChI:   InChI=1/C10H19NO4/c1-7(2)5-8(10(13)15-4)11-9(12)6-14-3/h7-8H,5-6H2,1-4H3,(H,11,12)/t8-/m0/s1

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Potential Energy
Epot(MMFF94)=56.1943 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.265 g/mol  logS: -1.87334  SlogP: 0.3367  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0862343  Sterimol/B1: 2.16504  Sterimol/B2: 2.83765  Sterimol/B3: 4.8254
  Sterimol/B4: 6.80132  Sterimol/L: 13.7784 
 
 Surface and Volume Properties
  Accessible surface: 466.393  Positive charged surface: 373.345  Negative charged surface: 93.048  Volume: 218.625
  Hydrophobic surface: 345.585  Hydrophilic surface: 120.808
 
 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.