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AURORAFEINCHEMIE-ZINC00541208

 MMsINC code: MMs00447511
Type: Neutral
Formula: C14H26N2O3
SMILES:   O(C(=O)C(NC(=O)NC1CCCCC1C)C(C)C)C
InChI:   InChI=1/C14H26N2O3/c1-9(2)12(13(17)19-4)16-14(18)15-11-8-6-5-7-10(11)3/h9-12H,5-8H2,1-4H3,(H2,15,16,18)/t10-,11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=26.4733 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -2.41616  SlogP: 2.0619  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0969923  Sterimol/B1: 2.23021  Sterimol/B2: 3.2051  Sterimol/B3: 5.45131
  Sterimol/B4: 5.84886  Sterimol/L: 15.8917 
 
 Surface and Volume Properties
  Accessible surface: 527.233  Positive charged surface: 408.633  Negative charged surface: 118.599  Volume: 278.375
  Hydrophobic surface: 402.262  Hydrophilic surface: 124.971
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.