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CHEMSTAR-ZINC04525404

 MMsINC code: MMs01114965
Type: Neutral
Formula: C7H6F2O3S
SMILES:   S(=O)(=O)(C(F)F)c1ccc(O)cc1
InChI:   InChI=1/C7H6F2O3S/c8-7(9)13(11,12)6-3-1-5(10)2-4-6/h1-4,7,10H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.313 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 208.184 g/mol  logS: -1.24749  SlogP: 1.8084  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.111997  Sterimol/B1: 2.42095  Sterimol/B2: 2.88006  Sterimol/B3: 3.41863
  Sterimol/B4: 4.82248  Sterimol/L: 11.043 
 
 Surface and Volume Properties
  Accessible surface: 344.351  Positive charged surface: 144.72  Negative charged surface: 199.632  Volume: 152.25
  Hydrophobic surface: 159.342  Hydrophilic surface: 185.009
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.