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PUBCHEM-ZINC05968840

MMsINC code: MMs03467968

Type: Neutral
Formula: C15H13FOS
SMILES:   S(=O)(\C(\F)=C\c1ccccc1)c1ccc(cc1)C
InChI:   InChI=1/C15H13FOS/c1-12-7-9-14(10-8-12)18(17)15(16)11-13-5-3-2-4-6-13/h2-11H,1H3/b15-11-/t18-/m1/s1

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Drug Similarity  |  Similarity to PDB ligands  

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Potential Energy
Epot(MMFF94)=83.9237 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.332 g/mol  logS: -4.86789  SlogP: 4.17962  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.108299  Sterimol/B1: 2.6383  Sterimol/B2: 3.90754  Sterimol/B3: 4.09337
  Sterimol/B4: 5.67955  Sterimol/L: 13.718 
 
 Surface and Volume Properties
  Accessible surface: 474.851  Positive charged surface: 245.366  Negative charged surface: 229.485  Volume: 245.125
  Hydrophobic surface: 436.312  Hydrophilic surface: 38.539
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  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.