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BACHEM-ZINC02555032

 MMsINC code: MMs00483619
Type: Neutral
Formula: C13H26N2O4
SMILES:   O(C(C)(C)C)C(=O)NC(CCCCN(C)C)C(O)=O
InChI:   InChI=1/C13H26N2O4/c1-13(2,3)19-12(18)14-10(11(16)17)8-6-7-9-15(4)5/h10H,6-9H2,1-5H3,(H,14,18)(H,16,17)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=34.0999 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.361 g/mol  logS: -1.3206  SlogP: 1.6962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0676248  Sterimol/B1: 3.37605  Sterimol/B2: 3.54013  Sterimol/B3: 4.48607
  Sterimol/B4: 6.58337  Sterimol/L: 16.0293 
 
 Surface and Volume Properties
  Accessible surface: 565.073  Positive charged surface: 440.568  Negative charged surface: 124.505  Volume: 283.5
  Hydrophobic surface: 387.321  Hydrophilic surface: 177.752
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  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.