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PUBCHEM-ZINC05791874

 MMsINC code: MMs03387639
Type: Neutral
Formula: C13H26N2O2
SMILES:   O=C(NCCCCCCCNC(=O)CC)CC
InChI:   InChI=1/C13H26N2O2/c1-3-12(16)14-10-8-6-5-7-9-11-15-13(17)4-2/h3-11H2,1-2H3,(H,14,16)(H,15,17)

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Potential Energy
Epot(MMFF94)=-2.29462 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 242.363 g/mol  logS: -1.67624  SlogP: 1.9893  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0129942  Sterimol/B1: 2.37511  Sterimol/B2: 2.37573  Sterimol/B3: 2.94026
  Sterimol/B4: 2.99794  Sterimol/L: 22.0449 
 
 Surface and Volume Properties
  Accessible surface: 569.507  Positive charged surface: 445.836  Negative charged surface: 123.67  Volume: 267.875
  Hydrophobic surface: 427.582  Hydrophilic surface: 141.925
 
 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.