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PUBCHEM-ZINC01845860

 MMsINC code: MMs02823909
Type: Neutral
Formula: C7H3F5O2S
SMILES:   S(=O)(=O)(C)c1c(F)c(F)c(F)c(F)c1F
InChI:   InChI=1/C7H3F5O2S/c1-15(13,14)7-5(11)3(9)2(8)4(10)6(7)12/h1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=15.1238 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.155 g/mol  logS: -3.00047  SlogP: 1.7856  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124359  Sterimol/B1: 2.04501  Sterimol/B2: 3.8658  Sterimol/B3: 3.86646
  Sterimol/B4: 4.09176  Sterimol/L: 10.629 
 
 Surface and Volume Properties
  Accessible surface: 341.644  Positive charged surface: 109.947  Negative charged surface: 231.697  Volume: 154.125
  Hydrophobic surface: 279.149  Hydrophilic surface: 62.495
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.