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PUBCHEM-ZINC00007887

 MMsINC code: MMs02626335
Type: Neutral
Formula: C7H7FN2O3
SMILES:   FC1=CNC(=O)N(C(=O)CC)C1=O
InChI:   InChI=1/C7H7FN2O3/c1-2-5(11)10-6(12)4(8)3-9-7(10)13/h3H,2H2,1H3,(H,9,13)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=25.6159 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.142 g/mol  logS: -1.29274  SlogP: 0.3946  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.025384  Sterimol/B1: 2.37509  Sterimol/B2: 2.37626  Sterimol/B3: 3.76455
  Sterimol/B4: 4.03724  Sterimol/L: 11.1616 
 
 Surface and Volume Properties
  Accessible surface: 334.112  Positive charged surface: 186.111  Negative charged surface: 148.002  Volume: 147.25
  Hydrophobic surface: 182.285  Hydrophilic surface: 151.827
 
 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.