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CHEMBRIDGE-ZINC03003179

 MMsINC code: MMs00751087
Type: Neutral
Formula: C14H10F3NOS2
SMILES:   S1C(=O)/C(/N=C1SCC=C)=C/c1ccc(cc1)C(F)(F)F
InChI:   InChI=1/C14H10F3NOS2/c1-2-7-20-13-18-11(12(19)21-13)8-9-3-5-10(6-4-9)14(15,16)17/h2-6,8H,1,7H2/b11-8+

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Potential Energy
Epot(MMFF94)=71.301 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 329.366 g/mol  logS: -5.94483  SlogP: 4.9064  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0369359  Sterimol/B1: 2.38582  Sterimol/B2: 3.23833  Sterimol/B3: 4.28299
  Sterimol/B4: 5.44045  Sterimol/L: 17.4755 
 
 Surface and Volume Properties
  Accessible surface: 534.022  Positive charged surface: 208.375  Negative charged surface: 325.647  Volume: 269.25
  Hydrophobic surface: 250.119  Hydrophilic surface: 283.903
 
 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.