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NANOSIN-ZINC01870278

 MMsINC code: MMs02199217
Type: Neutral
Formula: C8H7FO3S
SMILES:   S(Oc1ccccc1F)(=O)(=O)C=C
InChI:   InChI=1/C8H7FO3S/c1-2-13(10,11)12-8-6-4-3-5-7(8)9/h2-6H,1H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=47.9808 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 202.205 g/mol  logS: -2.21631  SlogP: 1.6778  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0554233  Sterimol/B1: 2.78202  Sterimol/B2: 3.05874  Sterimol/B3: 3.38714
  Sterimol/B4: 4.47791  Sterimol/L: 11.049 
 
 Surface and Volume Properties
  Accessible surface: 353.697  Positive charged surface: 148.675  Negative charged surface: 205.022  Volume: 161.125
  Hydrophobic surface: 240.589  Hydrophilic surface: 113.108
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.