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MAYBRIDGE-ZINC00174089

 MMsINC code: MMs02147348
Type: Neutral
Formula: C17H10F3NO
SMILES:   FC(F)(F)c1cc(ccc1)C(=O)c1nc2c(cc1)cccc2
InChI:   InChI=1/C17H10F3NO/c18-17(19,20)13-6-3-5-12(10-13)16(22)15-9-8-11-4-1-2-7-14(11)21-15/h1-10H

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Potential Energy
Epot(MMFF94)=104.398 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 301.267 g/mol  logS: -5.2557  SlogP: 4.7961  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0104436  Sterimol/B1: 2.23973  Sterimol/B2: 3.02152  Sterimol/B3: 3.38884
  Sterimol/B4: 6.37552  Sterimol/L: 13.8371 
 
 Surface and Volume Properties
  Accessible surface: 476.845  Positive charged surface: 190.632  Negative charged surface: 281.084  Volume: 257.375
  Hydrophobic surface: 332.654  Hydrophilic surface: 144.191
 
 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.