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AURORAFEINCHEMIE-ZINC00541660

 MMsINC code: MMs00447519
Type: Neutral
Formula: C13H24N2O3
SMILES:   O(C(=O)C(NC(=O)N1CCCCC1C)C(C)C)C
InChI:   InChI=1/C13H24N2O3/c1-9(2)11(12(16)18-4)14-13(17)15-8-6-5-7-10(15)3/h9-11H,5-8H2,1-4H3,(H,14,17)/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=56.1074 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.346 g/mol  logS: -1.71862  SlogP: 1.768  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102816  Sterimol/B1: 2.28872  Sterimol/B2: 2.56483  Sterimol/B3: 4.9006
  Sterimol/B4: 6.19514  Sterimol/L: 13.8685 
 
 Surface and Volume Properties
  Accessible surface: 494.562  Positive charged surface: 390.339  Negative charged surface: 104.223  Volume: 263
  Hydrophobic surface: 397.84  Hydrophilic surface: 96.722
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.