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PUBCHEM-ZINC05819707

 MMsINC code: MMs03398810
Type: Neutral
Formula: C14H26N2O2
SMILES:   O=C(N)C1CCCN(C1)C(=O)C(CCC)CCC
InChI:   InChI=1/C14H26N2O2/c1-3-6-11(7-4-2)14(18)16-9-5-8-12(10-16)13(15)17/h11-12H,3-10H2,1-2H3,(H2,15,17)/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=25.4172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 254.374 g/mol  logS: -2.71632  SlogP: 1.9267  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132955  Sterimol/B1: 2.0928  Sterimol/B2: 3.69946  Sterimol/B3: 4.58699
  Sterimol/B4: 7.85503  Sterimol/L: 14.9828 
 
 Surface and Volume Properties
  Accessible surface: 508.193  Positive charged surface: 373.344  Negative charged surface: 134.849  Volume: 270.875
  Hydrophobic surface: 342.528  Hydrophilic surface: 165.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.