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NCID-ZINC01627426

 MMsINC code: MMs02273617
Type: Neutral
Formula: C10H6F6OS
SMILES:   s1cccc1C(=O)C(=C(C(F)(F)F)C(F)(F)F)C
InChI:   InChI=1/C10H6F6OS/c1-5(7(17)6-3-2-4-18-6)8(9(11,12)13)10(14,15)16/h2-4H,1H3

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Potential Energy
Epot(MMFF94)=31.7704 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.211 g/mol  logS: -4.1948  SlogP: 5.2117  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.136178  Sterimol/B1: 1.969  Sterimol/B2: 3.02813  Sterimol/B3: 3.92707
  Sterimol/B4: 5.95141  Sterimol/L: 12.0483 
 
 Surface and Volume Properties
  Accessible surface: 404.493  Positive charged surface: 111.036  Negative charged surface: 293.457  Volume: 200
  Hydrophobic surface: 212.455  Hydrophilic surface: 192.038
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.