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OAKWOOD-ZINC04244666

 MMsINC code: MMs02549354
Type: Neutral
Formula: C9H6F6S
SMILES:   SCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
InChI:   InChI=1/C9H6F6S/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3,16H,4H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=53.3606 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 260.201 g/mol  logS: -4.46  SlogP: 5.0434  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0941672  Sterimol/B1: 2.56498  Sterimol/B2: 3.59966  Sterimol/B3: 3.77603
  Sterimol/B4: 6.17008  Sterimol/L: 10.4894 
 
 Surface and Volume Properties
  Accessible surface: 398.967  Positive charged surface: 107.276  Negative charged surface: 291.691  Volume: 184.375
  Hydrophobic surface: 131.826  Hydrophilic surface: 267.141
 
 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.