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IFLAB-ZINC00115043

 MMsINC code: MMs01974084
Type: Neutral
Formula: C10H8F3NOS3
SMILES:   S1CSCSC1C(=O)Nc1ccc(F)c(F)c1F
InChI:   InChI=1/C10H8F3NOS3/c11-5-1-2-6(8(13)7(5)12)14-9(15)10-17-3-16-4-18-10/h1-2,10H,3-4H2,(H,14,15)

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Potential Energy
Epot(MMFF94)=57.3536 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.372 g/mol  logS: -4.88812  SlogP: 3.4967  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0314869  Sterimol/B1: 2.85315  Sterimol/B2: 2.92169  Sterimol/B3: 3.15047
  Sterimol/B4: 5.0088  Sterimol/L: 14.5375 
 
 Surface and Volume Properties
  Accessible surface: 455.983  Positive charged surface: 200.058  Negative charged surface: 255.924  Volume: 230.25
  Hydrophobic surface: 293.731  Hydrophilic surface: 162.252
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.