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ENAMINE-ZINC03331787

 MMsINC code: MMs01377191
Type: Neutral
Formula: C11H14BrF2NO2S
SMILES:   Brc1cc(F)cc(F)c1S(=O)(=O)NC(CC)(C)C
InChI:   InChI=1/C11H14BrF2NO2S/c1-4-11(2,3)15-18(16,17)10-8(12)5-7(13)6-9(10)14/h5-6,15H,4H2,1-3H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=35.1066 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 342.204 g/mol  logS: -4.08661  SlogP: 3.1942  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.237747  Sterimol/B1: 2.70715  Sterimol/B2: 2.97361  Sterimol/B3: 4.95887
  Sterimol/B4: 5.89359  Sterimol/L: 12.1183 
 
 Surface and Volume Properties
  Accessible surface: 443.219  Positive charged surface: 193.46  Negative charged surface: 249.759  Volume: 248
  Hydrophobic surface: 337.231  Hydrophilic surface: 105.988
 
 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.