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PUBCHEM-ZINC06692273

 MMsINC code: MMs03839911
Type: Neutral
Formula: C14H24N2O4
SMILES:   OCC1N(CCC1)C(=O)CC(CC=C)C(=O)NCCO
InChI:   InChI=1/C14H24N2O4/c1-2-4-11(14(20)15-6-8-17)9-13(19)16-7-3-5-12(16)10-18/h2,11-12,17-18H,1,3-10H2,(H,15,20)/t11-,12+/m0/s1

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Potential Energy
Epot(MMFF94)=43.2137 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 284.356 g/mol  logS: -0.62044  SlogP: -0.3394  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.129549  Sterimol/B1: 2.37997  Sterimol/B2: 3.61317  Sterimol/B3: 4.75184
  Sterimol/B4: 8.41817  Sterimol/L: 14.1219 
 
 Surface and Volume Properties
  Accessible surface: 560.756  Positive charged surface: 430.716  Negative charged surface: 130.041  Volume: 285.25
  Hydrophobic surface: 376.965  Hydrophilic surface: 183.791
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.