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PUBCHEM-ZINC06168430

 MMsINC code: MMs03576922
Type: Neutral
Formula: C14H26N2O3
SMILES:   O(C(C)(C)C)C(=O)N1CCCC1C(=O)NC(CC)C
InChI:   InChI=1/C14H26N2O3/c1-6-10(2)15-12(17)11-8-7-9-16(11)13(18)19-14(3,4)5/h10-11H,6-9H2,1-5H3,(H,15,17)/t10-,11-/m0/s1

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Potential Energy
Epot(MMFF94)=40.1903 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 270.373 g/mol  logS: -2.29671  SlogP: 2.3006  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0763756  Sterimol/B1: 2.89918  Sterimol/B2: 3.82925  Sterimol/B3: 5.04966
  Sterimol/B4: 5.79652  Sterimol/L: 15.2198 
 
 Surface and Volume Properties
  Accessible surface: 538.076  Positive charged surface: 402.252  Negative charged surface: 135.824  Volume: 284.5
  Hydrophobic surface: 408.082  Hydrophilic surface: 129.994
 
 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.