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PUBCHEM-ZINC06412238

 MMsINC code: MMs03715439
Type: Neutral
Formula: C14H28N2O4
SMILES:   O(C(=O)C(NCCNC(CC)C(OCC)=O)CC)CC
InChI:   InChI=1/C14H28N2O4/c1-5-11(13(17)19-7-3)15-9-10-16-12(6-2)14(18)20-8-4/h11-12,15-16H,5-10H2,1-4H3/t11-,12-/m1/s1

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Potential Energy
Epot(MMFF94)=58.4944 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.388 g/mol  logS: -1.65314  SlogP: 0.849  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0405074  Sterimol/B1: 2.06696  Sterimol/B2: 3.57219  Sterimol/B3: 4.45647
  Sterimol/B4: 7.01445  Sterimol/L: 18.4415 
 
 Surface and Volume Properties
  Accessible surface: 618.433  Positive charged surface: 462.029  Negative charged surface: 156.404  Volume: 300.125
  Hydrophobic surface: 448.068  Hydrophilic surface: 170.365
 
 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.