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ENAMINE-ZINC03356038

 MMsINC code: MMs01392714
Type: Neutral
Formula: C13H17F2NO2S
SMILES:   S(=O)(=O)(N1CCCCC1CC)c1ccc(F)cc1F
InChI:   InChI=1/C13H17F2NO2S/c1-2-11-5-3-4-8-16(11)19(17,18)13-7-6-10(14)9-12(13)15/h6-7,9,11H,2-5,8H2,1H3/t11-/m0/s1

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=37.388 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 289.346 g/mol  logS: -3.17153  SlogP: 2.918  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.295755  Sterimol/B1: 2.22488  Sterimol/B2: 3.26887  Sterimol/B3: 4.91189
  Sterimol/B4: 7.27531  Sterimol/L: 11.4382 
 
 Surface and Volume Properties
  Accessible surface: 444.931  Positive charged surface: 259.82  Negative charged surface: 185.111  Volume: 249.625
  Hydrophobic surface: 372.565  Hydrophilic surface: 72.366
 
 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.