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MAYBRIDGE-ZINC04692845

 MMsINC code: MMs02175051
Type: Neutral
Formula: C7H5N3O3S
SMILES:   S(=O)(=O)(\C(=N\O)\C#N)c1ncccc1
InChI:   InChI=1/C7H5N3O3S/c8-5-7(10-11)14(12,13)6-3-1-2-4-9-6/h1-4,11H/b10-7-

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Potential Energy
Epot(MMFF94)=79.1813 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 211.201 g/mol  logS: -1.15859  SlogP: 0.166584  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.124684  Sterimol/B1: 2.59049  Sterimol/B2: 2.96273  Sterimol/B3: 3.91367
  Sterimol/B4: 6.02343  Sterimol/L: 10.2319 
 
 Surface and Volume Properties
  Accessible surface: 369.185  Positive charged surface: 179.122  Negative charged surface: 190.063  Volume: 166
  Hydrophobic surface: 155.641  Hydrophilic surface: 213.544
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 6  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.