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NCID-ZINC02472821

 MMsINC code: MMs02380205
Type: Neutral
Formula: C6H7FN2O2
SMILES:   FC1=CN(C)C(=O)N(C)C1=O
InChI:   InChI=1/C6H7FN2O2/c1-8-3-4(7)5(10)9(2)6(8)11/h3H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=5.09959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 158.132 g/mol  logS: -0.59031  SlogP: 0.43  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0433993  Sterimol/B1: 2.37474  Sterimol/B2: 2.37584  Sterimol/B3: 2.88179
  Sterimol/B4: 5.65069  Sterimol/L: 9.50493 
 
 Surface and Volume Properties
  Accessible surface: 309.704  Positive charged surface: 206.92  Negative charged surface: 102.785  Volume: 131.25
  Hydrophobic surface: 235.121  Hydrophilic surface: 74.583
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.