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ENAMINE-ZINC03888724

 MMsINC code: MMs01529775
Type: Neutral
Formula: C10H11N3O2S2
SMILES:   s1c(cnc1N)Cc1ccc(S(=O)(=O)N)cc1
InChI:   InChI=1/C10H11N3O2S2/c11-10-13-6-8(16-10)5-7-1-3-9(4-2-7)17(12,14)15/h1-4,6H,5H2,(H2,11,13)(H2,12,14,15)

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Potential Energy
Epot(MMFF94)=4.75476 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.349 g/mol  logS: -2.75959  SlogP: 0.96347  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106527  Sterimol/B1: 2.47042  Sterimol/B2: 3.76081  Sterimol/B3: 4.24687
  Sterimol/B4: 5.30421  Sterimol/L: 14.636 
 
 Surface and Volume Properties
  Accessible surface: 456.281  Positive charged surface: 258.29  Negative charged surface: 197.991  Volume: 223.5
  Hydrophobic surface: 226.231  Hydrophilic surface: 230.05
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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


MMs01529776
ENAMINE-ZINC03888724