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ENAMINE-ZINC03348628

 MMsINC code: MMs01388034
Type: Neutral
Formula: C11H16N2O3S2
SMILES:   S(=O)(=O)(N(C)C)c1ccc(NC(=O)CSC)cc1
InChI:   InChI=1/C11H16N2O3S2/c1-13(2)18(15,16)10-6-4-9(5-7-10)12-11(14)8-17-3/h4-7H,8H2,1-3H3,(H,12,14)

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Drug Similarity  |  Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.2295 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 288.392 g/mol  logS: -2.49241  SlogP: 1.2384  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0427199  Sterimol/B1: 2.50358  Sterimol/B2: 3.34906  Sterimol/B3: 4.52632
  Sterimol/B4: 4.58705  Sterimol/L: 16.8133 
 
 Surface and Volume Properties
  Accessible surface: 509.454  Positive charged surface: 325.425  Negative charged surface: 184.029  Volume: 255.75
  Hydrophobic surface: 371.363  Hydrophilic surface: 138.091
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.