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MAYBRIDGE-ZINC00080558

 MMsINC code: MMs02128824
Type: Neutral
Formula: C12H10F2N4O2
SMILES:   Fc1cccc(F)c1C(=O)NC(=O)Nc1nn(cc1)C
InChI:   InChI=1/C12H10F2N4O2/c1-18-6-5-9(17-18)15-12(20)16-11(19)10-7(13)3-2-4-8(10)14/h2-6H,1H3,(H2,15,16,17,19,20)

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Potential Energy
Epot(MMFF94)=25.9332 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.234 g/mol  logS: -2.81467  SlogP: 2.0194  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0486673  Sterimol/B1: 2.48747  Sterimol/B2: 3.76988  Sterimol/B3: 3.96966
  Sterimol/B4: 4.46517  Sterimol/L: 16.8863 
 
 Surface and Volume Properties
  Accessible surface: 497.314  Positive charged surface: 275.131  Negative charged surface: 222.183  Volume: 232.375
  Hydrophobic surface: 346.93  Hydrophilic surface: 150.384
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.