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PUBCHEM-ZINC06816436

 MMsINC code: MMs03866905
Type: Neutral
Formula: C15H13F3S
SMILES:   S(Cc1cc(ccc1)C(F)(F)F)c1ccccc1C
InChI:   InChI=1/C15H13F3S/c1-11-5-2-3-8-14(11)19-10-12-6-4-7-13(9-12)15(16,17)18/h2-9H,10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.0465 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 282.329 g/mol  logS: -5.3912  SlogP: 5.88402  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109902  Sterimol/B1: 2.08905  Sterimol/B2: 3.96004  Sterimol/B3: 4.45589
  Sterimol/B4: 6.65714  Sterimol/L: 14.9309 
 
 Surface and Volume Properties
  Accessible surface: 490.714  Positive charged surface: 217.074  Negative charged surface: 273.64  Volume: 252.5
  Hydrophobic surface: 363.391  Hydrophilic surface: 127.323
 
 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.