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PUBCHEM-ZINC06379273

 MMsINC code: MMs03692521
Type: Neutral
Formula: C15H19NO5
SMILES:   O(C(=O)C(\N=C(\OC)/c1ccccc1)CCC(OC)=O)C
InChI:   InChI=1/C15H19NO5/c1-19-13(17)10-9-12(15(18)21-3)16-14(20-2)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/b16-14+/t12-/m0/s1

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Potential Energy
Epot(MMFF94)=87.0246 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.319 g/mol  logS: -2.76141  SlogP: 1.5744  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.417095  Sterimol/B1: 3.70251  Sterimol/B2: 5.54802  Sterimol/B3: 6.69579
  Sterimol/B4: 6.92918  Sterimol/L: 12.7529 
 
 Surface and Volume Properties
  Accessible surface: 559.005  Positive charged surface: 417.931  Negative charged surface: 141.074  Volume: 283.75
  Hydrophobic surface: 478.292  Hydrophilic surface: 80.713
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.