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APOLLO-ZINC04128404

 MMsINC code: MMs00056798
Type: Neutral
Formula: C14H7F3OS
SMILES:   S1c2c(cc(cc2)C(F)(F)F)C(=O)c2c1cccc2
InChI:   InChI=1/C14H7F3OS/c15-14(16,17)8-5-6-12-10(7-8)13(18)9-3-1-2-4-11(9)19-12/h1-7H

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Potential Energy
Epot(MMFF94)=65.7893 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 280.269 g/mol  logS: -5.11829  SlogP: 4.7125  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0231137  Sterimol/B1: 2.86226  Sterimol/B2: 3.00084  Sterimol/B3: 3.13912
  Sterimol/B4: 5.44446  Sterimol/L: 13.7601 
 
 Surface and Volume Properties
  Accessible surface: 433.583  Positive charged surface: 154.342  Negative charged surface: 279.241  Volume: 223.125
  Hydrophobic surface: 261.166  Hydrophilic surface: 172.417
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.