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PUBCHEM-ZINC06678268

 MMsINC code: MMs03837600
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-/m1/s1

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Potential Energy
Epot(MMFF94)=17.4395 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: 0.0576985  Sterimol/B1: 2.18193  Sterimol/B2: 2.52679  Sterimol/B3: 4.77611
  Sterimol/B4: 7.64091  Sterimol/L: 17.6024 
 
 Surface and Volume Properties
  Accessible surface: 540.688  Positive charged surface: 441.313  Negative charged surface: 99.3749  Volume: 263.875
  Hydrophobic surface: 411.629  Hydrophilic surface: 129.059
 
 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.