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CHEMSTAR-ZINC00029197

 MMsINC code: MMs01072106
Type: Neutral
Formula: C12H10FNO2S
SMILES:   S(=O)(=O)(Nc1ccccc1)c1ccc(F)cc1
InChI:   InChI=1/C12H10FNO2S/c13-10-6-8-12(9-7-10)17(15,16)14-11-4-2-1-3-5-11/h1-9,14H

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Potential Energy
Epot(MMFF94)=32.1438 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 251.281 g/mol  logS: -3.3417  SlogP: 2.6265  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.261142  Sterimol/B1: 2.81596  Sterimol/B2: 3.61132  Sterimol/B3: 4.2392
  Sterimol/B4: 6.23302  Sterimol/L: 11.06 
 
 Surface and Volume Properties
  Accessible surface: 429.217  Positive charged surface: 203.807  Negative charged surface: 225.41  Volume: 216.25
  Hydrophobic surface: 348.064  Hydrophilic surface: 81.153
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.