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AURORAFEINCHEMIE-ZINC00537599

 MMsINC code: MMs00447425
Type: Neutral
Formula: C14H26N2O3
SMILES:   O(C(=O)C(NC(=O)N1CCCCC1CC)C(C)C)C
InChI:   InChI=1/C14H26N2O3/c1-5-11-8-6-7-9-16(11)14(18)15-12(10(2)3)13(17)19-4/h10-12H,5-9H2,1-4H3,(H,15,18)/t11-,12-/m0/s1

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Potential Energy
Epot(MMFF94)=62.6887 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -1.92039  SlogP: 2.1581  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0985212  Sterimol/B1: 2.34163  Sterimol/B2: 2.41215  Sterimol/B3: 4.69557
  Sterimol/B4: 7.23938  Sterimol/L: 13.7878 
 
 Surface and Volume Properties
  Accessible surface: 518.297  Positive charged surface: 412.215  Negative charged surface: 106.081  Volume: 277.5
  Hydrophobic surface: 419.762  Hydrophilic surface: 98.535
 
 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.