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OTAVA-ZINC05516197

 MMsINC code: MMs02599108
Type: Neutral
Formula: C12H10FNO3S
SMILES:   S(=O)(=O)(Nc1ccccc1O)c1ccc(F)cc1
InChI:   InChI=1/C12H10FNO3S/c13-9-5-7-10(8-6-9)18(16,17)14-11-3-1-2-4-12(11)15/h1-8,14-15H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=45.1583 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 267.28 g/mol  logS: -2.97975  SlogP: 2.3321  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.268069  Sterimol/B1: 2.91986  Sterimol/B2: 3.639  Sterimol/B3: 4.56643
  Sterimol/B4: 6.01331  Sterimol/L: 10.9082 
 
 Surface and Volume Properties
  Accessible surface: 437.122  Positive charged surface: 209.224  Negative charged surface: 227.898  Volume: 220
  Hydrophobic surface: 313.222  Hydrophilic surface: 123.9
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.