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PUBCHEM-ZINC05819628

 MMsINC code: MMs03398728
Type: Neutral
Formula: C9H11FN2O4
SMILES:   FC1=CN(COC(=O)CCC)C(=O)NC1=O
InChI:   InChI=1/C9H11FN2O4/c1-2-3-7(13)16-5-12-4-6(10)8(14)11-9(12)15/h4H,2-3,5H2,1H3,(H,11,14,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-7.15588 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 230.195 g/mol  logS: -1.53432  SlogP: 0.7588  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.13646  Sterimol/B1: 3.0213  Sterimol/B2: 3.17573  Sterimol/B3: 4.05632
  Sterimol/B4: 5.01065  Sterimol/L: 12.5939 
 
 Surface and Volume Properties
  Accessible surface: 420.356  Positive charged surface: 256.277  Negative charged surface: 164.079  Volume: 193
  Hydrophobic surface: 237.752  Hydrophilic surface: 182.604
 
 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.