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PUBCHEM-ZINC00305135

 MMsINC code: MMs02652200
Type: Neutral
Formula: C8H10FNO2S
SMILES:   S(=O)(=O)(N(C)C)c1ccc(F)cc1
InChI:   InChI=1/C8H10FNO2S/c1-10(2)13(11,12)8-5-3-7(9)4-6-8/h3-6H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=16.1817 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 203.237 g/mol  logS: -1.59342  SlogP: 1.076  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.138129  Sterimol/B1: 2.35017  Sterimol/B2: 2.54208  Sterimol/B3: 4.2986
  Sterimol/B4: 4.8895  Sterimol/L: 10.8399 
 
 Surface and Volume Properties
  Accessible surface: 368.285  Positive charged surface: 214.127  Negative charged surface: 154.158  Volume: 173.125
  Hydrophobic surface: 312.931  Hydrophilic surface: 55.354
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.