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ENAMINE-ZINC03545873

 MMsINC code: MMs01500761
Type: Neutral
Formula: C14H22N2O4
SMILES:   O(C(=O)c1[nH]c(C)c(C(O)C)c1C)CC(=O)NCCC
InChI:   InChI=1/C14H22N2O4/c1-5-6-15-11(18)7-20-14(19)13-8(2)12(10(4)17)9(3)16-13/h10,16-17H,5-7H2,1-4H3,(H,15,18)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=34.0721 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.34 g/mol  logS: -1.63639  SlogP: 1.46334  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0209215  Sterimol/B1: 3.1322  Sterimol/B2: 3.22707  Sterimol/B3: 4.48741
  Sterimol/B4: 4.79494  Sterimol/L: 18.9067 
 
 Surface and Volume Properties
  Accessible surface: 565.529  Positive charged surface: 387.774  Negative charged surface: 177.756  Volume: 280.25
  Hydrophobic surface: 363.657  Hydrophilic surface: 201.872
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.