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CHEMDIV-ZINC06817761

 MMsINC code: MMs01041295
Type: Neutral
Formula: C17H16N4O4S2
SMILES:   s1c(nnc1S(=O)(=O)NCc1ccccc1)NC(=O)COc1ccccc1
InChI:   InChI=1/C17H16N4O4S2/c22-15(12-25-14-9-5-2-6-10-14)19-16-20-21-17(26-16)27(23,24)18-11-13-7-3-1-4-8-13/h1-10,18H,11-12H2,(H,19,20,22)

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Potential Energy
Epot(MMFF94)=74.7985 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.471 g/mol  logS: -5.57752  SlogP: 2.3005  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0351539  Sterimol/B1: 2.722  Sterimol/B2: 3.79089  Sterimol/B3: 3.89615
  Sterimol/B4: 7.47316  Sterimol/L: 21.6575 
 
 Surface and Volume Properties
  Accessible surface: 676.107  Positive charged surface: 330.286  Negative charged surface: 345.821  Volume: 342.75
  Hydrophobic surface: 470.455  Hydrophilic surface: 205.652
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 6  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.