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PUBCHEM-ZINC06734869

 MMsINC code: MMs03849388
Type: Neutral
Formula: C14H22N2O4
SMILES:   O=C1N(CC(C1)C(=O)NCC(OC)=O)C1CCCCC1
InChI:   InChI=1/C14H22N2O4/c1-20-13(18)8-15-14(19)10-7-12(17)16(9-10)11-5-3-2-4-6-11/h10-11H,2-9H2,1H3,(H,15,19)/t10-/m0/s1

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Potential Energy
Epot(MMFF94)=27.668 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.34 g/mol  logS: -1.49624  SlogP: 0.4568  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0470448  Sterimol/B1: 2.94665  Sterimol/B2: 3.06306  Sterimol/B3: 3.76355
  Sterimol/B4: 4.00366  Sterimol/L: 18.6653 
 
 Surface and Volume Properties
  Accessible surface: 537.619  Positive charged surface: 417.577  Negative charged surface: 120.042  Volume: 274.125
  Hydrophobic surface: 417.926  Hydrophilic surface: 119.693
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.