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NCID-ZINC05329274

 MMsINC code: MMs02451824
Type: Neutral
Formula: C13H26N2O3
SMILES:   OC(=O)CCCCCCCCCCNC(=O)NC
InChI:   InChI=1/C13H26N2O3/c1-14-13(18)15-11-9-7-5-3-2-4-6-8-10-12(16)17/h2-11H2,1H3,(H,16,17)(H2,14,15,18)

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Potential Energy
Epot(MMFF94)=-30.2593 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.362 g/mol  logS: -2.6635  SlogP: 2.5109  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0125568  Sterimol/B1: 2.37541  Sterimol/B2: 2.37547  Sterimol/B3: 2.90362
  Sterimol/B4: 3.16886  Sterimol/L: 22.8689 
 
 Surface and Volume Properties
  Accessible surface: 590.687  Positive charged surface: 481.56  Negative charged surface: 109.127  Volume: 276.75
  Hydrophobic surface: 411.969  Hydrophilic surface: 178.718
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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


MMs02451825
NCID-ZINC05329274