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AURORAFEINCHEMIE-ZINC05185051

 MMsINC code: MMs00472693
Type: Neutral
Formula: C14H26N2O3
SMILES:   O(C(=O)C(NC(=O)N1CCCCC1C)CC(C)C)C
InChI:   InChI=1/C14H26N2O3/c1-10(2)9-12(13(17)19-4)15-14(18)16-8-6-5-7-11(16)3/h10-12H,5-9H2,1-4H3,(H,15,18)/t11-,12+/m1/s1

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Potential Energy
Epot(MMFF94)=51.5932 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -2.54729  SlogP: 2.1581  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130442  Sterimol/B1: 2.3579  Sterimol/B2: 2.62407  Sterimol/B3: 5.63975
  Sterimol/B4: 6.44477  Sterimol/L: 13.9179 
 
 Surface and Volume Properties
  Accessible surface: 531.456  Positive charged surface: 422.284  Negative charged surface: 109.172  Volume: 281.75
  Hydrophobic surface: 428.221  Hydrophilic surface: 103.235
 
 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.