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PUBCHEM-ZINC06707295

 MMsINC code: MMs03844023
Type: Neutral
Formula: C12H24N2O4
SMILES:   O(C(=O)C(NC(=O)NCCCOC)C(CC)C)C
InChI:   InChI=1/C12H24N2O4/c1-5-9(2)10(11(15)18-4)14-12(16)13-7-6-8-17-3/h9-10H,5-8H2,1-4H3,(H2,13,14,16)/t9-,10-/m0/s1

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Potential Energy
Epot(MMFF94)=18.1256 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.334 g/mol  logS: -1.60288  SlogP: 0.9098  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0555064  Sterimol/B1: 2.19162  Sterimol/B2: 2.52269  Sterimol/B3: 4.63848
  Sterimol/B4: 7.60698  Sterimol/L: 17.5968 
 
 Surface and Volume Properties
  Accessible surface: 542.644  Positive charged surface: 441.751  Negative charged surface: 100.893  Volume: 265.25
  Hydrophobic surface: 413.832  Hydrophilic surface: 128.812
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 3  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.