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CHEMDIV-ZINC06817755

 MMsINC code: MMs01041290
Type: Neutral
Formula: C17H16N4O3S2
SMILES:   s1c(nnc1S(=O)(=O)NCc1ccccc1)NC(=O)c1ccc(cc1)C
InChI:   InChI=1/C17H16N4O3S2/c1-12-7-9-14(10-8-12)15(22)19-16-20-21-17(25-16)26(23,24)18-11-13-5-3-2-4-6-13/h2-10,18H,11H2,1H3,(H,19,20,22)

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Potential Energy
Epot(MMFF94)=65.6382 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 388.472 g/mol  logS: -5.97462  SlogP: 2.84372  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0165139  Sterimol/B1: 2.98197  Sterimol/B2: 3.13585  Sterimol/B3: 3.79098
  Sterimol/B4: 6.11585  Sterimol/L: 20.8792 
 
 Surface and Volume Properties
  Accessible surface: 641.787  Positive charged surface: 307.698  Negative charged surface: 334.089  Volume: 336.25
  Hydrophobic surface: 462.975  Hydrophilic surface: 178.812
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.