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APOLLO-ZINC00169412

 MMsINC code: MMs00048419
Type: Neutral
Formula: C13H10F6N2O2
SMILES:   FC(F)(F)c1nn(C)c(Oc2cc(ccc2)C(F)(F)F)c1CO
InChI:   InChI=1/C13H10F6N2O2/c1-21-11(9(6-22)10(20-21)13(17,18)19)23-8-4-2-3-7(5-8)12(14,15)16/h2-5,22H,6H2,1H3

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Potential Energy
Epot(MMFF94)=89.508 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 340.223 g/mol  logS: -3.84594  SlogP: 4.9909  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.148324  Sterimol/B1: 2.22884  Sterimol/B2: 2.3797  Sterimol/B3: 5.29801
  Sterimol/B4: 7.73985  Sterimol/L: 14.0729 
 
 Surface and Volume Properties
  Accessible surface: 503.059  Positive charged surface: 211.117  Negative charged surface: 291.943  Volume: 253.5
  Hydrophobic surface: 225.532  Hydrophilic surface: 277.527
 
 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.