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IFLAB-ZINC04148063

 MMsINC code: MMs02022372
Type: Neutral
Formula: C12H11FN2O2
SMILES:   Fc1cc(NC(=O)c2ocnc2C)ccc1C
InChI:   InChI=1/C12H11FN2O2/c1-7-3-4-9(5-10(7)13)15-12(16)11-8(2)14-6-17-11/h3-6H,1-2H3,(H,15,16)

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Potential Energy
Epot(MMFF94)=48.4767 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 234.23 g/mol  logS: -3.09116  SlogP: 2.68284  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0235056  Sterimol/B1: 2.41719  Sterimol/B2: 2.79673  Sterimol/B3: 3.43351
  Sterimol/B4: 4.46814  Sterimol/L: 13.8309 
 
 Surface and Volume Properties
  Accessible surface: 452.429  Positive charged surface: 284.365  Negative charged surface: 168.064  Volume: 211.75
  Hydrophobic surface: 346.233  Hydrophilic surface: 106.196
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.