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PUBCHEM-ZINC06522639

 MMsINC code: MMs03780922
Type: Neutral
Formula: C10H13FO3S
SMILES:   S(OCCCF)(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C10H13FO3S/c1-9-3-5-10(6-4-9)15(12,13)14-8-2-7-11/h3-6H,2,7-8H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=31.9912 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 232.275 g/mol  logS: -2.77951  SlogP: 2.05992  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.107125  Sterimol/B1: 2.52191  Sterimol/B2: 2.95601  Sterimol/B3: 4.04951
  Sterimol/B4: 6.45235  Sterimol/L: 13.0679 
 
 Surface and Volume Properties
  Accessible surface: 433.852  Positive charged surface: 233.236  Negative charged surface: 200.616  Volume: 202.375
  Hydrophobic surface: 323.733  Hydrophilic surface: 110.119
 
 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.