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ENAMINE-ZINC03885828

 MMsINC code: MMs01527533
Type: Neutral
Formula: C6H7N3O4S
SMILES:   S(=O)(=O)(NN)c1cc([N+](=O)[O-])ccc1
InChI:   InChI=1/C6H7N3O4S/c7-8-14(12,13)6-3-1-2-5(4-6)9(10)11/h1-4,8H,7H2

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Potential Energy
Epot(MMFF94)=73.6586 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.205 g/mol  logS: -2.38165  SlogP: -0.2532  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.144828  Sterimol/B1: 2.54772  Sterimol/B2: 3.3936  Sterimol/B3: 3.45672
  Sterimol/B4: 6.2186  Sterimol/L: 10.9866 
 
 Surface and Volume Properties
  Accessible surface: 366.742  Positive charged surface: 148.465  Negative charged surface: 218.277  Volume: 163.5
  Hydrophobic surface: 129.499  Hydrophilic surface: 237.243
 
 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: no related molecules available.