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ENAMINE-ZINC03532648

 MMsINC code: MMs01494508
Type: Neutral
Formula: C14H12F2N2O5S2
SMILES:   S(=O)(=O)(Nc1ccc(S(=O)(=O)NC(=O)C)cc1)c1c(F)cccc1F
InChI:   InChI=1/C14H12F2N2O5S2/c1-9(19)17-24(20,21)11-7-5-10(6-8-11)18-25(22,23)14-12(15)3-2-4-13(14)16/h2-8,18H,1H3,(H,17,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-8.53374 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 390.387 g/mol  logS: -4.06922  SlogP: 1.5904  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.105315  Sterimol/B1: 3.476  Sterimol/B2: 4.21491  Sterimol/B3: 4.2425
  Sterimol/B4: 5.16162  Sterimol/L: 15.7433 
 
 Surface and Volume Properties
  Accessible surface: 547.124  Positive charged surface: 253.367  Negative charged surface: 293.757  Volume: 293.625
  Hydrophobic surface: 358.567  Hydrophilic surface: 188.557
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 5  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.