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NCID-ZINC01604544

 MMsINC code: MMs02256982
Type: Neutral
Formula: C8H7FO2S
SMILES:   S(C(OC)=O)c1ccc(F)cc1
InChI:   InChI=1/C8H7FO2S/c1-11-8(10)12-7-4-2-6(9)3-5-7/h2-5H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=18.5221 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 186.206 g/mol  logS: -3.16539  SlogP: 2.6842  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0738991  Sterimol/B1: 2.27305  Sterimol/B2: 3.67206  Sterimol/B3: 3.76721
  Sterimol/B4: 4.38761  Sterimol/L: 12.4243 
 
 Surface and Volume Properties
  Accessible surface: 368.785  Positive charged surface: 198.227  Negative charged surface: 170.559  Volume: 159.625
  Hydrophobic surface: 289.247  Hydrophilic surface: 79.538
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.