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NCID-ZINC01673772

 MMsINC code: MMs02309572
Type: Neutral
Formula: C11H8F4S
SMILES:   S1C2C(Cc3c2cccc3)C(F)(F)C1(F)F
InChI:   InChI=1/C11H8F4S/c12-10(13)8-5-6-3-1-2-4-7(6)9(8)16-11(10,14)15/h1-4,8-9H,5H2/t8-,9+/m0/s1

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Potential Energy
Epot(MMFF94)=66.2626 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 248.243 g/mol  logS: -4.222  SlogP: 4.81017  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.110909  Sterimol/B1: 3.28005  Sterimol/B2: 3.33452  Sterimol/B3: 3.65196
  Sterimol/B4: 4.5208  Sterimol/L: 11.2028 
 
 Surface and Volume Properties
  Accessible surface: 387.163  Positive charged surface: 150.187  Negative charged surface: 236.977  Volume: 189.25
  Hydrophobic surface: 229.397  Hydrophilic surface: 157.766
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.