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KEYORGANICS-ZINC04085431

 MMsINC code: MMs02121587
Type: Neutral
Formula: C13H10F2N2O2
SMILES:   Fc1cc(NC(=O)C(=O)c2n(ccc2)C)ccc1F
InChI:   InChI=1/C13H10F2N2O2/c1-17-6-2-3-11(17)12(18)13(19)16-8-4-5-9(14)10(15)7-8/h2-7H,1H3,(H,16,19)

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Potential Energy
Epot(MMFF94)=69.5922 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 264.231 g/mol  logS: -2.76633  SlogP: 2.4839  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.020964  Sterimol/B1: 2.2541  Sterimol/B2: 2.56424  Sterimol/B3: 2.88987
  Sterimol/B4: 5.9842  Sterimol/L: 14.8229 
 
 Surface and Volume Properties
  Accessible surface: 459.524  Positive charged surface: 245.352  Negative charged surface: 214.172  Volume: 225.75
  Hydrophobic surface: 368.657  Hydrophilic surface: 90.867
 
 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.