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APOLLO-ZINC03913037

 MMsINC code: MMs00056622
Type: Neutral
Formula: C11H10F3NO2
SMILES:   FC(F)(F)c1cc(NC(=O)C2(OC2)C)ccc1
InChI:   InChI=1/C11H10F3NO2/c1-10(6-17-10)9(16)15-8-4-2-3-7(5-8)11(12,13)14/h2-5H,6H2,1H3,(H,15,16)/t10-/m1/s1

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Potential Energy
Epot(MMFF94)=59.3001 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 245.2 g/mol  logS: -3.26221  SlogP: 2.7443  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.076847  Sterimol/B1: 2.10906  Sterimol/B2: 2.98491  Sterimol/B3: 4.49211
  Sterimol/B4: 5.1685  Sterimol/L: 13.4315 
 
 Surface and Volume Properties
  Accessible surface: 422.641  Positive charged surface: 176.102  Negative charged surface: 246.539  Volume: 200.875
  Hydrophobic surface: 262.257  Hydrophilic surface: 160.384
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.