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IFLAB-ZINC00114521

 MMsINC code: MMs01974060
Type: Neutral
Formula: C10H10FNOS3
SMILES:   S1CSCSC1C(=O)Nc1ccc(F)cc1
InChI:   InChI=1/C10H10FNOS3/c11-7-1-3-8(4-2-7)12-9(13)10-15-5-14-6-16-10/h1-4,10H,5-6H2,(H,12,13)

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Potential Energy
Epot(MMFF94)=49.8757 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.392 g/mol  logS: -4.29816  SlogP: 3.2185  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0373638  Sterimol/B1: 2.80255  Sterimol/B2: 2.91271  Sterimol/B3: 3.24231
  Sterimol/B4: 4.66957  Sterimol/L: 14.5434 
 
 Surface and Volume Properties
  Accessible surface: 445.168  Positive charged surface: 217.263  Negative charged surface: 227.904  Volume: 224.25
  Hydrophobic surface: 280.792  Hydrophilic surface: 164.376
 
 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.