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NCID-ZINC01577965

 MMsINC code: MMs02236118
Type: Neutral
Formula: C7H10N4O2S
SMILES:   S(=O)(=O)(\N=C(/NN)\N)c1ccccc1
InChI:   InChI=1/C7H10N4O2S/c8-7(10-9)11-14(12,13)6-4-2-1-3-5-6/h1-5H,9H2,(H3,8,10,11)

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Potential Energy
Epot(MMFF94)=24.7041 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 214.249 g/mol  logS: -1.93796  SlogP: -0.8467  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.102568  Sterimol/B1: 3.51889  Sterimol/B2: 3.54292  Sterimol/B3: 3.7457
  Sterimol/B4: 3.76386  Sterimol/L: 13.1226 
 
 Surface and Volume Properties
  Accessible surface: 398.891  Positive charged surface: 216.845  Negative charged surface: 182.046  Volume: 178.375
  Hydrophobic surface: 188.463  Hydrophilic surface: 210.428
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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.