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ACROSORGANICS-ZINC02568132

 MMsINC code: MMs00014570
Type: Neutral
Formula: C7H4FNO3S
SMILES:   S(=O)(=O)(N=C=O)c1ccc(F)cc1
InChI:   InChI=1/C7H4FNO3S/c8-6-1-3-7(4-2-6)13(11,12)9-5-10/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=7.32449 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.177 g/mol  logS: -1.83326  SlogP: 0.8502  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0626098  Sterimol/B1: 2.42033  Sterimol/B2: 2.84773  Sterimol/B3: 3.1498
  Sterimol/B4: 4.81817  Sterimol/L: 12.2526 
 
 Surface and Volume Properties
  Accessible surface: 347.992  Positive charged surface: 132.731  Negative charged surface: 215.261  Volume: 151
  Hydrophobic surface: 191.329  Hydrophilic surface: 156.663
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.