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IFLAB-ZINC00114515

 MMsINC code: MMs01974058
Type: Neutral
Formula: C10H10FNOS3
SMILES:   S1CSCSC1C(=O)Nc1ccccc1F
InChI:   InChI=1/C10H10FNOS3/c11-7-3-1-2-4-8(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)=55.8016 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: 0.0318287  Sterimol/B1: 2.59316  Sterimol/B2: 2.82022  Sterimol/B3: 3.25386
  Sterimol/B4: 5.28142  Sterimol/L: 14.2606 
 
 Surface and Volume Properties
  Accessible surface: 444.407  Positive charged surface: 220.539  Negative charged surface: 223.868  Volume: 224.875
  Hydrophobic surface: 281.836  Hydrophilic surface: 162.571
 
 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.