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CHEMBLOCK-ZINC04126818

 MMsINC code: MMs00542967
Type: Neutral
Formula: C12H10F2N4O2
SMILES:   Fc1cc(F)ccc1C(=O)NC(=O)Nc1n[nH]c(c1)C
InChI:   InChI=1/C12H10F2N4O2/c1-6-4-10(18-17-6)15-12(20)16-11(19)8-3-2-7(13)5-9(8)14/h2-5H,1H3,(H3,15,16,17,18,19,20)

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Potential Energy
Epot(MMFF94)=30.3851 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.234 g/mol  logS: -3.23405  SlogP: 1.95822  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00293133  Sterimol/B1: 2.10129  Sterimol/B2: 2.51177  Sterimol/B3: 3.04828
  Sterimol/B4: 5.00213  Sterimol/L: 16.8341 
 
 Surface and Volume Properties
  Accessible surface: 477.281  Positive charged surface: 253.798  Negative charged surface: 223.484  Volume: 231.375
  Hydrophobic surface: 307.295  Hydrophilic surface: 169.986
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.