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ASINEX-ZINC00041453

 MMsINC code: MMs00062805
Type: Neutral
Formula: C14H15NO4
SMILES:   OC=1c2c(N(CC)C(=O)C=1C(OCC)=O)cccc2
InChI:   InChI=1/C14H15NO4/c1-3-15-10-8-6-5-7-9(10)12(16)11(13(15)17)14(18)19-4-2/h5-8,16H,3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=44.5907 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 261.277 g/mol  logS: -2.85546  SlogP: 1.8853  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0324992  Sterimol/B1: 2.07519  Sterimol/B2: 2.52519  Sterimol/B3: 3.42764
  Sterimol/B4: 7.87977  Sterimol/L: 14.7384 
 
 Surface and Volume Properties
  Accessible surface: 479.009  Positive charged surface: 318.221  Negative charged surface: 160.788  Volume: 244.125
  Hydrophobic surface: 349.278  Hydrophilic surface: 129.731
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 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.