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ENAMINE-ZINC02636601

 MMsINC code: MMs01266042
Type: Neutral
Formula: C15H14N2O5
SMILES:   Oc1ccccc1C(OCC(=O)NC(=O)c1n(ccc1)C)=O
InChI:   InChI=1/C15H14N2O5/c1-17-8-4-6-11(17)14(20)16-13(19)9-22-15(21)10-5-2-3-7-12(10)18/h2-8,18H,9H2,1H3,(H,16,19,20)

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Potential Energy
Epot(MMFF94)=62.6389 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.286 g/mol  logS: -2.22259  SlogP: 1.2033  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00554341  Sterimol/B1: 2.23716  Sterimol/B2: 2.48212  Sterimol/B3: 2.51449
  Sterimol/B4: 5.99151  Sterimol/L: 18.1158 
 
 Surface and Volume Properties
  Accessible surface: 548.602  Positive charged surface: 333.616  Negative charged surface: 214.986  Volume: 271.625
  Hydrophobic surface: 373.405  Hydrophilic surface: 175.197
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.