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PUBCHEM-ZINC05855933

 MMsINC code: MMs03419615
Type: Neutral
Formula: C14H23NO4
SMILES:   O(C(=O)C1NCC(C(C)=C)C1CC(OCC)=O)CC
InChI:   InChI=1/C14H23NO4/c1-5-18-12(16)7-10-11(9(3)4)8-15-13(10)14(17)19-6-2/h10-11,13,15H,3,5-8H2,1-2,4H3/t10-,11+,13-/m0/s1

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Potential Energy
Epot(MMFF94)=83.1444 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.341 g/mol  logS: -1.83189  SlogP: 1.283  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.111132  Sterimol/B1: 2.33557  Sterimol/B2: 3.29673  Sterimol/B3: 3.53273
  Sterimol/B4: 8.60796  Sterimol/L: 13.7256 
 
 Surface and Volume Properties
  Accessible surface: 521.931  Positive charged surface: 381.231  Negative charged surface: 140.7  Volume: 269.875
  Hydrophobic surface: 371.39  Hydrophilic surface: 150.541
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 3
 
 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.