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NCID-ZINC01579549

 MMsINC code: MMs02237349
Type: Neutral
Formula: C12H19FN2O4
SMILES:   FC1=CN(COCCC)C(=O)N(COCCC)C1=O
InChI:   InChI=1/C12H19FN2O4/c1-3-5-18-8-14-7-10(13)11(16)15(12(14)17)9-19-6-4-2/h7H,3-6,8-9H2,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-3.12779 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 274.292 g/mol  logS: -1.34455  SlogP: 1.9386  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.131002  Sterimol/B1: 2.50872  Sterimol/B2: 3.32855  Sterimol/B3: 5.34601
  Sterimol/B4: 7.35049  Sterimol/L: 15.3875 
 
 Surface and Volume Properties
  Accessible surface: 524.565  Positive charged surface: 362.148  Negative charged surface: 162.418  Volume: 259
  Hydrophobic surface: 385.977  Hydrophilic surface: 138.588
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.