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ENAMINE-ZINC06510375

 MMsINC code: MMs01666857
Type: Neutral
Formula: C14H14F2N2O4S2
SMILES:   S(=O)(=O)(NC(C)c1ccc(S(=O)(=O)N)cc1)c1c(F)cccc1F
InChI:   InChI=1/C14H14F2N2O4S2/c1-9(10-5-7-11(8-6-10)23(17,19)20)18-24(21,22)14-12(15)3-2-4-13(14)16/h2-9,18H,1H3,(H2,17,19,20)/t9-/m0/s1

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Potential Energy
Epot(MMFF94)=-13.0665 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.404 g/mol  logS: -4.13454  SlogP: 1.7472  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.154028  Sterimol/B1: 2.04028  Sterimol/B2: 2.89087  Sterimol/B3: 5.11664
  Sterimol/B4: 7.88897  Sterimol/L: 14.3027 
 
 Surface and Volume Properties
  Accessible surface: 550.733  Positive charged surface: 249.95  Negative charged surface: 300.784  Volume: 292.125
  Hydrophobic surface: 333.938  Hydrophilic surface: 216.795
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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


MMs01666858
ENAMINE-ZINC06510375