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PUBCHEM-ZINC06272965

 MMsINC code: MMs03651821
Type: Neutral
Formula: C14H26N2O4
SMILES:   O(C(=O)C(NC(=O)CC)CCCCNC(=O)CC)CC
InChI:   InChI=1/C14H26N2O4/c1-4-12(17)15-10-8-7-9-11(14(19)20-6-3)16-13(18)5-2/h11H,4-10H2,1-3H3,(H,15,17)(H,16,18)/t11-/m1/s1

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Potential Energy
Epot(MMFF94)=21.8053 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 286.372 g/mol  logS: -1.69463  SlogP: 1.1408  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0330942  Sterimol/B1: 2.78439  Sterimol/B2: 3.18812  Sterimol/B3: 6.53856
  Sterimol/B4: 6.78836  Sterimol/L: 17.1501 
 
 Surface and Volume Properties
  Accessible surface: 612.607  Positive charged surface: 456.159  Negative charged surface: 156.448  Volume: 295.625
  Hydrophobic surface: 433.715  Hydrophilic surface: 178.892
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.