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PUBCHEM-ZINC06616132

 MMsINC code: MMs03821371
Type: Neutral
Formula: C14H26N2O5
SMILES:   OC1CC(N(C1)C(OCC(C)C)=O)C(=O)NCCCOC
InChI:   InChI=1/C14H26N2O5/c1-10(2)9-21-14(19)16-8-11(17)7-12(16)13(18)15-5-4-6-20-3/h10-12,17H,4-9H2,1-3H3,(H,15,18)/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=38.2923 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.371 g/mol  logS: -1.12974  SlogP: 0.3669  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0320589  Sterimol/B1: 2.1694  Sterimol/B2: 2.81139  Sterimol/B3: 3.41296
  Sterimol/B4: 9.525  Sterimol/L: 18.8483 
 
 Surface and Volume Properties
  Accessible surface: 613.694  Positive charged surface: 493.623  Negative charged surface: 120.071  Volume: 300.875
  Hydrophobic surface: 449.66  Hydrophilic surface: 164.034
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.