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BACHEM-ZINC02244291

 MMsINC code: MMs00482795
Type: Neutral
Formula: C14H28N2O4
SMILES:   O(C(C)(C)C)C(=O)C(NC(OC(C)(C)C)=O)CCCN
InChI:   InChI=1/C14H28N2O4/c1-13(2,3)19-11(17)10(8-7-9-15)16-12(18)20-14(4,5)6/h10H,7-9,15H2,1-6H3,(H,16,18)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=47.0548 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.388 g/mol  logS: -2.30626  SlogP: 1.9603  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0980218  Sterimol/B1: 2.36377  Sterimol/B2: 2.92307  Sterimol/B3: 3.96808
  Sterimol/B4: 10.8713  Sterimol/L: 14.2679 
 
 Surface and Volume Properties
  Accessible surface: 587.555  Positive charged surface: 434.962  Negative charged surface: 152.593  Volume: 299.125
  Hydrophobic surface: 368.843  Hydrophilic surface: 218.712
 
 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


MMs00482796
BACHEM-ZINC02244291