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PUBCHEM-ZINC06616134

 MMsINC code: MMs03821374
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)=34.1124 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: 0.0537228  Sterimol/B1: 2.43157  Sterimol/B2: 2.9742  Sterimol/B3: 4.01533
  Sterimol/B4: 8.67716  Sterimol/L: 19.0531 
 
 Surface and Volume Properties
  Accessible surface: 612.324  Positive charged surface: 487.778  Negative charged surface: 124.546  Volume: 299.625
  Hydrophobic surface: 445.035  Hydrophilic surface: 167.289
 
 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.