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APOLLO-ZINC00154044

 MMsINC code: MMs00044213
Type: Neutral
Formula: C18H12F3NO
SMILES:   FC(F)(F)c1cc(ccc1)C(=O)Cc1nc2c(cc1)cccc2
InChI:   InChI=1/C18H12F3NO/c19-18(20,21)14-6-3-5-13(10-14)17(23)11-15-9-8-12-4-1-2-7-16(12)22-15/h1-10H,11H2

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Potential Energy
Epot(MMFF94)=88.3379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 315.294 g/mol  logS: -5.31717  SlogP: 4.99047  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0400005  Sterimol/B1: 3.05193  Sterimol/B2: 3.42929  Sterimol/B3: 3.54201
  Sterimol/B4: 5.39043  Sterimol/L: 16.6161 
 
 Surface and Volume Properties
  Accessible surface: 536.023  Positive charged surface: 233.078  Negative charged surface: 297.409  Volume: 276.125
  Hydrophobic surface: 392.359  Hydrophilic surface: 143.664
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.