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MAYBRIDGE-ZINC04693401

 MMsINC code: MMs02175080
Type: Neutral
Formula: C10H13N3O2S2
SMILES:   S(\C(=N\S(=O)(=O)\C=C\c1ccccc1)\NN)C
InChI:   InChI=1/C10H13N3O2S2/c1-16-10(12-11)13-17(14,15)8-7-9-5-3-2-4-6-9/h2-8H,11H2,1H3,(H,12,13)/b8-7+

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Potential Energy
Epot(MMFF94)=57.2432 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 271.365 g/mol  logS: -3.2552  SlogP: 1.1694  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0486665  Sterimol/B1: 2.73304  Sterimol/B2: 3.14432  Sterimol/B3: 3.7513
  Sterimol/B4: 5.43498  Sterimol/L: 15.8581 
 
 Surface and Volume Properties
  Accessible surface: 491.611  Positive charged surface: 246.976  Negative charged surface: 244.635  Volume: 234.625
  Hydrophobic surface: 307.891  Hydrophilic surface: 183.72
 
 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.