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CHEMDIV-ZINC07001366

 MMsINC code: MMs01069587
Type: Neutral
Formula: C15H11F2N3O3
SMILES:   Fc1ccc(F)cc1NC(=O)c1c2c(oc1C)N=CN(C)C2=O
InChI:   InChI=1/C15H11F2N3O3/c1-7-11(12-14(23-7)18-6-20(2)15(12)22)13(21)19-10-5-8(16)3-4-9(10)17/h3-6H,1-2H3,(H,19,21)

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Potential Energy
Epot(MMFF94)=48.6623 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 319.267 g/mol  logS: -4.76499  SlogP: 2.86392  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0692575  Sterimol/B1: 2.4313  Sterimol/B2: 3.39979  Sterimol/B3: 3.87645
  Sterimol/B4: 8.23692  Sterimol/L: 14.8787 
 
 Surface and Volume Properties
  Accessible surface: 513.958  Positive charged surface: 293.805  Negative charged surface: 220.153  Volume: 264.75
  Hydrophobic surface: 378.174  Hydrophilic surface: 135.784
 
 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.