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PUBCHEM-ZINC06201337

 MMsINC code: MMs03608836
Type: Neutral
Formula: C14H26N2O2
SMILES:   O1CCCC1CNCC(=O)N1C(CCCC1C)C
InChI:   InChI=1/C14H26N2O2/c1-11-5-3-6-12(2)16(11)14(17)10-15-9-13-7-4-8-18-13/h11-13,15H,3-10H2,1-2H3/t11-,12+,13-/m0/s1

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Potential Energy
Epot(MMFF94)=167.384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.374 g/mol  logS: -1.52765  SlogP: 1.5445  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0489093  Sterimol/B1: 2.22191  Sterimol/B2: 2.8993  Sterimol/B3: 3.77156
  Sterimol/B4: 7.1857  Sterimol/L: 15.7911 
 
 Surface and Volume Properties
  Accessible surface: 511.498  Positive charged surface: 411.45  Negative charged surface: 100.048  Volume: 264.875
  Hydrophobic surface: 428.943  Hydrophilic surface: 82.555
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.