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ENAMINE-ZINC05902062

 MMsINC code: MMs01644939
Type: Neutral
Formula: C16H15FN2O4
SMILES:   Fc1ccc(cc1)CCNC(=O)COC(=O)C1=CC=CNC1=O
InChI:   InChI=1/C16H15FN2O4/c17-12-5-3-11(4-6-12)7-9-18-14(20)10-23-16(22)13-2-1-8-19-15(13)21/h1-6,8H,7,9-10H2,(H,18,20)(H,19,21)

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Potential Energy
Epot(MMFF94)=58.7653 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 318.304 g/mol  logS: -3.40502  SlogP: 0.59747  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0292967  Sterimol/B1: 3.61815  Sterimol/B2: 3.6211  Sterimol/B3: 3.99674
  Sterimol/B4: 4.21448  Sterimol/L: 19.5415 
 
 Surface and Volume Properties
  Accessible surface: 576.217  Positive charged surface: 329.046  Negative charged surface: 247.171  Volume: 285.25
  Hydrophobic surface: 422.844  Hydrophilic surface: 153.373
 
 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.