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ENAMINE-ZINC00441972

 MMsINC code: MMs01230566
Type: Neutral
Formula: C13H11FN2O2S
SMILES:   S(=O)(=O)(N\N=C\c1cc(F)ccc1)c1ccccc1
InChI:   InChI=1/C13H11FN2O2S/c14-12-6-4-5-11(9-12)10-15-16-19(17,18)13-7-2-1-3-8-13/h1-10,16H/b15-10+

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Potential Energy
Epot(MMFF94)=72.4312 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 278.307 g/mol  logS: -3.80762  SlogP: 2.1381  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0942147  Sterimol/B1: 2.57241  Sterimol/B2: 2.83411  Sterimol/B3: 5.12799
  Sterimol/B4: 6.58784  Sterimol/L: 13.4923 
 
 Surface and Volume Properties
  Accessible surface: 491.848  Positive charged surface: 233.427  Negative charged surface: 258.421  Volume: 242
  Hydrophobic surface: 381.183  Hydrophilic surface: 110.665
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.