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NCID-ZINC01604543

 MMsINC code: MMs02256981
Type: Neutral
Formula: C14H11FO2S
SMILES:   S(C(OCc1ccccc1)=O)c1ccc(F)cc1
InChI:   InChI=1/C14H11FO2S/c15-12-6-8-13(9-7-12)18-14(16)17-10-11-4-2-1-3-5-11/h1-9H,10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.6387 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 262.304 g/mol  logS: -4.93329  SlogP: 4.521  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0257612  Sterimol/B1: 3.18052  Sterimol/B2: 3.53124  Sterimol/B3: 3.66593
  Sterimol/B4: 3.73812  Sterimol/L: 16.5953 
 
 Surface and Volume Properties
  Accessible surface: 496.853  Positive charged surface: 239.765  Negative charged surface: 257.088  Volume: 238.125
  Hydrophobic surface: 415.258  Hydrophilic surface: 81.595
 
 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.