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ASINEX-ZINC06681276

 MMsINC code: MMs00444816
Type: Neutral
Formula: C18H15FN2O4S2
SMILES:   s1cc(S(=O)(=O)N(C)c2ccc(F)cc2)cc1C(=O)Nc1ccc(O)cc1
InChI:   InChI=1/C18H15FN2O4S2/c1-21(14-6-2-12(19)3-7-14)27(24,25)16-10-17(26-11-16)18(23)20-13-4-8-15(22)9-5-13/h2-11,22H,1H3,(H,20,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=98.9379 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 406.458 g/mol  logS: -4.83199  SlogP: 3.6702  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0565014  Sterimol/B1: 2.73341  Sterimol/B2: 3.69971  Sterimol/B3: 5.05885
  Sterimol/B4: 7.80224  Sterimol/L: 17.0939 
 
 Surface and Volume Properties
  Accessible surface: 611.236  Positive charged surface: 292.355  Negative charged surface: 318.881  Volume: 338
  Hydrophobic surface: 463.924  Hydrophilic surface: 147.312
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.