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PUBCHEM-ZINC05018304

 MMsINC code: MMs03189846
Type: Neutral
Formula: C18H14FS+
SMILES:   [S+](c1ccc(F)cc1)(c1ccccc1)c1ccccc1
InChI:   InChI=1/C18H14FS/c19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-14H/q+1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=100.441 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 281.374 g/mol  logS: -6.2186  SlogP: 4.9211  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.269741  Sterimol/B1: 2.41328  Sterimol/B2: 3.18988  Sterimol/B3: 4.70088
  Sterimol/B4: 8.95651  Sterimol/L: 12.1083 
 
 Surface and Volume Properties
  Accessible surface: 497.055  Positive charged surface: 258.878  Negative charged surface: 238.177  Volume: 272.875
  Hydrophobic surface: 486.345  Hydrophilic surface: 10.71
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 0  Basic groups: 1
  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.