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CHEMBLOCK-ZINC00062868

 MMsINC code: MMs00492720
Type: Neutral
Formula: C11H11N3O3S2
SMILES:   s1ccnc1NS(=O)(=O)c1ccc(NC(=O)C)cc1
InChI:   InChI=1/C11H11N3O3S2/c1-8(15)13-9-2-4-10(5-3-9)19(16,17)14-11-12-6-7-18-11/h2-7H,1H3,(H,12,14)(H,13,15)

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Potential Energy
Epot(MMFF94)=36.632 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 297.359 g/mol  logS: -2.72754  SlogP: 1.9023  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0699633  Sterimol/B1: 2.83889  Sterimol/B2: 3.9805  Sterimol/B3: 4.13191
  Sterimol/B4: 5.99737  Sterimol/L: 14.4653 
 
 Surface and Volume Properties
  Accessible surface: 475.148  Positive charged surface: 256.935  Negative charged surface: 218.213  Volume: 242.375
  Hydrophobic surface: 309.454  Hydrophilic surface: 165.694
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.