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ENAMINE-ZINC05601853

 MMsINC code: MMs01626213
Type: Neutral
Formula: C15H15N3O4S2
SMILES:   S(=O)(=O)(Nc1ccc(S(=O)(=O)N(C)C)cc1)c1cc(ccc1)C#N
InChI:   InChI=1/C15H15N3O4S2/c1-18(2)24(21,22)14-8-6-13(7-9-14)17-23(19,20)15-5-3-4-12(10-15)11-16/h3-10,17H,1-2H3

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Potential Energy
Epot(MMFF94)=39.6067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 365.434 g/mol  logS: -3.31121  SlogP: 1.60938  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130346  Sterimol/B1: 3.05469  Sterimol/B2: 4.43196  Sterimol/B3: 4.70367
  Sterimol/B4: 4.96695  Sterimol/L: 16.3858 
 
 Surface and Volume Properties
  Accessible surface: 566.91  Positive charged surface: 318.885  Negative charged surface: 248.025  Volume: 307.875
  Hydrophobic surface: 351.802  Hydrophilic surface: 215.108
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.