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ENAMINE-ZINC06886593

 MMsINC code: MMs01711281
Type: Neutral
Formula: C17H16F2N2O4S
SMILES:   S(=O)(=O)(N1CCOCC1)c1cc(NC(=O)c2ccc(F)cc2F)ccc1
InChI:   InChI=1/C17H16F2N2O4S/c18-12-4-5-15(16(19)10-12)17(22)20-13-2-1-3-14(11-13)26(23,24)21-6-8-25-9-7-21/h1-5,10-11H,6-9H2,(H,20,22)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.0795 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 382.387 g/mol  logS: -4.14987  SlogP: 2.238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0631428  Sterimol/B1: 2.51509  Sterimol/B2: 3.8932  Sterimol/B3: 3.98114
  Sterimol/B4: 8.00196  Sterimol/L: 17.5033 
 
 Surface and Volume Properties
  Accessible surface: 585.752  Positive charged surface: 333.519  Negative charged surface: 252.233  Volume: 314.5
  Hydrophobic surface: 484.92  Hydrophilic surface: 100.832
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.