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PUBCHEM-ZINC06022850

 MMsINC code: MMs03498149
Type: Neutral
Formula: C14H27NO5
SMILES:   O(C(C)(C)C)C(=O)CCC(NC(OC(C)(C)C)=O)CO
InChI:   InChI=1/C14H27NO5/c1-13(2,3)19-11(17)8-7-10(9-16)15-12(18)20-14(4,5)6/h10,16H,7-9H2,1-6H3,(H,15,18)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=43.7478 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.372 g/mol  logS: -2.09251  SlogP: 1.9939  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0639979  Sterimol/B1: 2.09224  Sterimol/B2: 3.87124  Sterimol/B3: 4.8552
  Sterimol/B4: 6.31264  Sterimol/L: 16.1079 
 
 Surface and Volume Properties
  Accessible surface: 587.256  Positive charged surface: 426.943  Negative charged surface: 160.313  Volume: 296.875
  Hydrophobic surface: 377.134  Hydrophilic surface: 210.122
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.