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ASINEX-ZINC00810793

 MMsINC code: MMs00175267
Type: Neutral
Formula: C15H10F2N2O4S
SMILES:   S1(=O)(=O)N(CC(=O)Nc2cc(F)c(F)cc2)C(=O)c2c1cccc2
InChI:   InChI=1/C15H10F2N2O4S/c16-11-6-5-9(7-12(11)17)18-14(20)8-19-15(21)10-3-1-2-4-13(10)24(19,22)23/h1-7H,8H2,(H,18,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=59.363 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.317 g/mol  logS: -4.41286  SlogP: 1.748  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0878002  Sterimol/B1: 2.99197  Sterimol/B2: 3.10928  Sterimol/B3: 5.16915
  Sterimol/B4: 5.19859  Sterimol/L: 16.2817 
 
 Surface and Volume Properties
  Accessible surface: 538.442  Positive charged surface: 241.488  Negative charged surface: 296.954  Volume: 274
  Hydrophobic surface: 396.011  Hydrophilic surface: 142.431
 
 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.