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NCID-ZINC01607462

 MMsINC code: MMs02259233
Type: Neutral
Formula: C7H9FN2O3
SMILES:   FC1=CN(CCOC)C(=O)NC1=O
InChI:   InChI=1/C7H9FN2O3/c1-13-3-2-10-4-5(8)6(11)9-7(10)12/h4H,2-3H2,1H3,(H,9,11,12)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=10.4084 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 188.158 g/mol  logS: -0.83894  SlogP: 0.1044  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.180125  Sterimol/B1: 2.51552  Sterimol/B2: 2.60513  Sterimol/B3: 4.25671
  Sterimol/B4: 4.67162  Sterimol/L: 11.134 
 
 Surface and Volume Properties
  Accessible surface: 360.987  Positive charged surface: 248.819  Negative charged surface: 112.168  Volume: 157.75
  Hydrophobic surface: 243.427  Hydrophilic surface: 117.56
 
 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.