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ENAMINE-ZINC04207026

 MMsINC code: MMs01534649
Type: Neutral
Formula: C7H9N3O2S
SMILES:   S(=O)(=O)(NC(N)=N)c1ccccc1
InChI:   InChI=1/C7H9N3O2S/c8-7(9)10-13(11,12)6-4-2-1-3-5-6/h1-5H,(H4,8,9,10)

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Potential Energy
Epot(MMFF94)=-35.8316 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 199.234 g/mol  logS: -1.95803  SlogP: -0.14163  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.211081  Sterimol/B1: 2.59802  Sterimol/B2: 3.40864  Sterimol/B3: 4.48309
  Sterimol/B4: 4.80169  Sterimol/L: 10.6772 
 
 Surface and Volume Properties
  Accessible surface: 362.462  Positive charged surface: 187.441  Negative charged surface: 175.02  Volume: 165.375
  Hydrophobic surface: 173.37  Hydrophilic surface: 189.092
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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: no related molecules available.