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PUBCHEM-ZINC06159270

 MMsINC code: MMs03570390
Type: Neutral
Formula: C14H26N2O5
SMILES:   OC1CC(N(C1)C(OC(C)(C)C)=O)C(=O)NCCCOC
InChI:   InChI=1/C14H26N2O5/c1-14(2,3)21-13(19)16-9-10(17)8-11(16)12(18)15-6-5-7-20-4/h10-11,17H,5-9H2,1-4H3,(H,15,18)/t10-,11+/m1/s1

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Potential Energy
Epot(MMFF94)=50.6979 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.371 g/mol  logS: -1.38062  SlogP: 0.5094  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.059564  Sterimol/B1: 2.40984  Sterimol/B2: 2.85801  Sterimol/B3: 4.02136
  Sterimol/B4: 8.95638  Sterimol/L: 17.7767 
 
 Surface and Volume Properties
  Accessible surface: 598.678  Positive charged surface: 472.807  Negative charged surface: 125.871  Volume: 300.25
  Hydrophobic surface: 436.455  Hydrophilic surface: 162.223
 
 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.