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NCID-ZINC01588722

 MMsINC code: MMs02244173
Type: Neutral
Formula: C7H8FNO2S
SMILES:   S(=O)(=O)(N)c1cc(F)ccc1C
InChI:   InChI=1/C7H8FNO2S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,1H3,(H2,9,10,11)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=4.07392 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 189.21 g/mol  logS: -2.06694  SlogP: 0.78152  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112953  Sterimol/B1: 2.34964  Sterimol/B2: 3.12101  Sterimol/B3: 3.14708
  Sterimol/B4: 6.1016  Sterimol/L: 9.92013 
 
 Surface and Volume Properties
  Accessible surface: 337.643  Positive charged surface: 156.348  Negative charged surface: 181.295  Volume: 152.125
  Hydrophobic surface: 217.288  Hydrophilic surface: 120.355
 
 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


MMs02244174
NCID-ZINC01588722