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ENAMINE-ZINC02757184

 MMsINC code: MMs01287335
Type: Neutral
Formula: C13H10BrFN2O2S
SMILES:   Brc1ccc(S(=O)(=O)N\N=C\c2ccc(F)cc2)cc1
InChI:   InChI=1/C13H10BrFN2O2S/c14-11-3-7-13(8-4-11)20(18,19)17-16-9-10-1-5-12(15)6-2-10/h1-9,17H/b16-9+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.4048 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 357.203 g/mol  logS: -4.89801  SlogP: 2.9006  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0949102  Sterimol/B1: 2.83139  Sterimol/B2: 3.97876  Sterimol/B3: 5.05998
  Sterimol/B4: 6.4136  Sterimol/L: 13.9231 
 
 Surface and Volume Properties
  Accessible surface: 528.042  Positive charged surface: 206.249  Negative charged surface: 321.793  Volume: 266.125
  Hydrophobic surface: 418.338  Hydrophilic surface: 109.704
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.