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ENAMINE-ZINC03350874

 MMsINC code: MMs01389511
Type: Neutral
Formula: C13H15FN2O4
SMILES:   Fc1ccccc1C(OCC(=O)NC(=O)NC(C)C)=O
InChI:   InChI=1/C13H15FN2O4/c1-8(2)15-13(19)16-11(17)7-20-12(18)9-5-3-4-6-10(9)14/h3-6,8H,7H2,1-2H3,(H2,15,16,17,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.4057 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.271 g/mol  logS: -3.11711  SlogP: 1.2167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.01897  Sterimol/B1: 2.4502  Sterimol/B2: 3.61061  Sterimol/B3: 4.06899
  Sterimol/B4: 4.67748  Sterimol/L: 17.9405 
 
 Surface and Volume Properties
  Accessible surface: 530.221  Positive charged surface: 324.306  Negative charged surface: 205.915  Volume: 255
  Hydrophobic surface: 353.221  Hydrophilic surface: 177
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.