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ENAMINE-ZINC05126754

 MMsINC code: MMs01590261
Type: Neutral
Formula: C15H15F2NO2S
SMILES:   S(=O)(=O)(Nc1cc(F)c(F)cc1)c1ccc(cc1)C(C)C
InChI:   InChI=1/C15H15F2NO2S/c1-10(2)11-3-6-13(7-4-11)21(19,20)18-12-5-8-14(16)15(17)9-12/h3-10,18H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=38.0832 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 311.352 g/mol  logS: -5.14104  SlogP: 3.889  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.121855  Sterimol/B1: 3.02147  Sterimol/B2: 4.06285  Sterimol/B3: 5.09037
  Sterimol/B4: 5.31021  Sterimol/L: 14.041 
 
 Surface and Volume Properties
  Accessible surface: 505.576  Positive charged surface: 264.595  Negative charged surface: 240.981  Volume: 270.75
  Hydrophobic surface: 381.508  Hydrophilic surface: 124.068
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.