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NCID-ZINC01613189

 MMsINC code: MMs02263366
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-/m1/s1

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Potential Energy
Epot(MMFF94)=25.3559 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: 0.0621074  Sterimol/B1: 2.96756  Sterimol/B2: 3.18011  Sterimol/B3: 3.84604
  Sterimol/B4: 4.23304  Sterimol/L: 15.4876 
 
 Surface and Volume Properties
  Accessible surface: 470.655  Positive charged surface: 330.799  Negative charged surface: 139.856  Volume: 218.375
  Hydrophobic surface: 298.952  Hydrophilic surface: 171.703
 
 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.