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PUBCHEM-ZINC05976961

 MMsINC code: MMs03472372
Type: Neutral
Formula: C14H26N2O4
SMILES:   O(CC(C)C)C(=O)N1CCCC1C(=O)NCCCOC
InChI:   InChI=1/C14H26N2O4/c1-11(2)10-20-14(18)16-8-4-6-12(16)13(17)15-7-5-9-19-3/h11-12H,4-10H2,1-3H3,(H,15,17)/t12-/m1/s1

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Potential Energy
Epot(MMFF94)=28.0519 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.372 g/mol  logS: -1.53405  SlogP: 1.3961  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0436563  Sterimol/B1: 1.969  Sterimol/B2: 3.65215  Sterimol/B3: 4.6096
  Sterimol/B4: 7.31756  Sterimol/L: 18.639 
 
 Surface and Volume Properties
  Accessible surface: 597.156  Positive charged surface: 481.817  Negative charged surface: 115.339  Volume: 293.375
  Hydrophobic surface: 484.863  Hydrophilic surface: 112.293
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.