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AURORAFEINCHEMIE-ZINC05202437

 MMsINC code: MMs00472743
Type: Neutral
Formula: C14H26N2O3
SMILES:   O(C(=O)C(NC(=O)N1CC(CC(C1)C)C)C(C)C)C
InChI:   InChI=1/C14H26N2O3/c1-9(2)12(13(17)19-5)15-14(18)16-7-10(3)6-11(4)8-16/h9-12H,6-8H2,1-5H3,(H,15,18)/t10-,11+,12-/m0/s1

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Potential Energy
Epot(MMFF94)=37.4625 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -1.79495  SlogP: 1.8715  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0768053  Sterimol/B1: 2.35609  Sterimol/B2: 2.8957  Sterimol/B3: 4.2973
  Sterimol/B4: 6.55291  Sterimol/L: 14.7592 
 
 Surface and Volume Properties
  Accessible surface: 532.519  Positive charged surface: 412.43  Negative charged surface: 120.089  Volume: 277.75
  Hydrophobic surface: 398.739  Hydrophilic surface: 133.78
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.