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NCID-ZINC01673829

 MMsINC code: MMs02309617
Type: Neutral
Formula: C14H7F5S
SMILES:   S(\C=C\c1ccccc1)c1c(F)c(F)c(F)c(F)c1F
InChI:   InChI=1/C14H7F5S/c15-9-10(16)12(18)14(13(19)11(9)17)20-7-6-8-4-2-1-3-5-8/h1-7H/b7-6+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.4248 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.266 g/mol  logS: -5.92165  SlogP: 5.1451  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0799641  Sterimol/B1: 3.03971  Sterimol/B2: 3.86702  Sterimol/B3: 3.8731
  Sterimol/B4: 5.53204  Sterimol/L: 14.5881 
 
 Surface and Volume Properties
  Accessible surface: 481.664  Positive charged surface: 174.24  Negative charged surface: 307.424  Volume: 235
  Hydrophobic surface: 449.052  Hydrophilic surface: 32.612
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.