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NCID-ZINC04958190

 MMsINC code: MMs02418384
Type: Neutral
Formula: C14H28N2O2
SMILES:   O=C(NCCCCCCCCCCNC(=O)C)C
InChI:   InChI=1/C14H28N2O2/c1-13(17)15-11-9-7-5-3-4-6-8-10-12-16-14(2)18/h3-12H2,1-2H3,(H,15,17)(H,16,18)

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Potential Energy
Epot(MMFF94)=-1.61177 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 256.39 g/mol  logS: -2.81836  SlogP: 2.3794  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0122187  Sterimol/B1: 2.37518  Sterimol/B2: 2.3756  Sterimol/B3: 2.94849
  Sterimol/B4: 3.78706  Sterimol/L: 23.289 
 
 Surface and Volume Properties
  Accessible surface: 597.837  Positive charged surface: 459.238  Negative charged surface: 138.599  Volume: 287.375
  Hydrophobic surface: 486.184  Hydrophilic surface: 111.653
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 2  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: no related molecules available.