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PUBCHEM-ZINC01847420

 MMsINC code: MMs02824561
Type: Neutral
Formula: C11H15FO3S
SMILES:   S(OCCCCF)(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C11H15FO3S/c1-10-4-6-11(7-5-10)16(13,14)15-9-3-2-8-12/h4-7H,2-3,8-9H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.8547 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 246.302 g/mol  logS: -2.98128  SlogP: 2.45002  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0936003  Sterimol/B1: 2.43698  Sterimol/B2: 3.0975  Sterimol/B3: 3.81095
  Sterimol/B4: 7.01369  Sterimol/L: 13.9802 
 
 Surface and Volume Properties
  Accessible surface: 466.452  Positive charged surface: 262.567  Negative charged surface: 203.886  Volume: 222
  Hydrophobic surface: 356.148  Hydrophilic surface: 110.304
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.