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PUBCHEM-ZINC05832645

 MMsINC code: MMs03406273
Type: Neutral
Formula: C10H19NO4
SMILES:   O(C(=O)C(NC(OC(C)(C)C)=O)C)CC
InChI:   InChI=1/C10H19NO4/c1-6-14-8(12)7(2)11-9(13)15-10(3,4)5/h7H,6H2,1-5H3,(H,11,13)/t7-/m0/s1

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Potential Energy
Epot(MMFF94)=25.3715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.265 g/mol  logS: -1.88415  SlogP: 1.4627  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0621003  Sterimol/B1: 2.96815  Sterimol/B2: 3.18054  Sterimol/B3: 3.84531
  Sterimol/B4: 4.23208  Sterimol/L: 15.4877 
 
 Surface and Volume Properties
  Accessible surface: 472.434  Positive charged surface: 334.094  Negative charged surface: 138.34  Volume: 218.5
  Hydrophobic surface: 301.379  Hydrophilic surface: 171.055
 
 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.