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ENAMINE-ZINC03293401

 MMsINC code: MMs01354542
Type: Neutral
Formula: C12H15F2NO2S
SMILES:   S(=O)(=O)(N1CCCCC1C)c1ccc(F)cc1F
InChI:   InChI=1/C12H15F2NO2S/c1-9-4-2-3-7-15(9)18(16,17)12-6-5-10(13)8-11(12)14/h5-6,8-9H,2-4,7H2,1H3/t9-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=32.6715 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 275.319 g/mol  logS: -2.96976  SlogP: 2.5279  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.269547  Sterimol/B1: 2.1988  Sterimol/B2: 3.31824  Sterimol/B3: 5.08243
  Sterimol/B4: 6.58646  Sterimol/L: 11.4113 
 
 Surface and Volume Properties
  Accessible surface: 424.231  Positive charged surface: 244.56  Negative charged surface: 179.671  Volume: 231.875
  Hydrophobic surface: 357.886  Hydrophilic surface: 66.345
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.