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IFLAB-ZINC02456704

 MMsINC code: MMs01989872
Type: Neutral
Formula: C14H24N2O3
SMILES:   OC(=O)CCCC(=O)N1CCN(CC1)C1CCCC1
InChI:   InChI=1/C14H24N2O3/c17-13(6-3-7-14(18)19)16-10-8-15(9-11-16)12-4-1-2-5-12/h12H,1-11H2,(H,18,19)

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Potential Energy
Epot(MMFF94)=39.1185 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 268.357 g/mol  logS: -0.62122  SlogP: 1.3281  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0371372  Sterimol/B1: 2.65728  Sterimol/B2: 3.85313  Sterimol/B3: 3.85707
  Sterimol/B4: 4.16955  Sterimol/L: 17.8992 
 
 Surface and Volume Properties
  Accessible surface: 521.718  Positive charged surface: 409.479  Negative charged surface: 112.239  Volume: 272.375
  Hydrophobic surface: 390.657  Hydrophilic surface: 131.061
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.