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APOLLO-ZINC00164069

 MMsINC code: MMs00047446
Type: Neutral
Formula: C10H9F6NO
SMILES:   FC(F)(F)C(O)(C(F)(F)F)c1cc(ccc1N)C
InChI:   InChI=1/C10H9F6NO/c1-5-2-3-7(17)6(4-5)8(18,9(11,12)13)10(14,15)16/h2-4,18H,17H2,1H3

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Potential Energy
Epot(MMFF94)=87.4226 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.176 g/mol  logS: -3.51668  SlogP: 4.04072  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.156077  Sterimol/B1: 2.92222  Sterimol/B2: 3.50652  Sterimol/B3: 3.52952
  Sterimol/B4: 5.81561  Sterimol/L: 10.7576 
 
 Surface and Volume Properties
  Accessible surface: 392.768  Positive charged surface: 161.694  Negative charged surface: 231.074  Volume: 195.375
  Hydrophobic surface: 167.153  Hydrophilic surface: 225.615
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 1  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.