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ASINEX-ZINC00899563

 MMsINC code: MMs00212144
Type: Neutral
Formula: C16H16F2N2O4S2
SMILES:   S(=O)(=O)(N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1
InChI:   InChI=1/C16H16F2N2O4S2/c17-13-1-5-15(6-2-13)25(21,22)19-9-11-20(12-10-19)26(23,24)16-7-3-14(18)4-8-16/h1-8H,9-12H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=55.4197 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 402.442 g/mol  logS: -3.74514  SlogP: 1.66  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0547695  Sterimol/B1: 2.42064  Sterimol/B2: 3.72247  Sterimol/B3: 4.35318
  Sterimol/B4: 4.8186  Sterimol/L: 18.26 
 
 Surface and Volume Properties
  Accessible surface: 576.514  Positive charged surface: 280.94  Negative charged surface: 295.574  Volume: 322.5
  Hydrophobic surface: 469.787  Hydrophilic surface: 106.727
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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.