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NCID-ZINC01665071

 MMsINC code: MMs02301251
Type: Neutral
Formula: C8H7N3O4S2
SMILES:   S(C(=S)NC)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChI:   InChI=1/C8H7N3O4S2/c1-9-8(16)17-7-3-2-5(10(12)13)4-6(7)11(14)15/h2-4H,1H3,(H,9,16)

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Potential Energy
Epot(MMFF94)=82.6052 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.293 g/mol  logS: -5.45023  SlogP: 2.0994  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0884783  Sterimol/B1: 2.78669  Sterimol/B2: 3.7121  Sterimol/B3: 4.72496
  Sterimol/B4: 5.21616  Sterimol/L: 13.6629 
 
 Surface and Volume Properties
  Accessible surface: 426.782  Positive charged surface: 174.924  Negative charged surface: 251.858  Volume: 208.375
  Hydrophobic surface: 184.354  Hydrophilic surface: 242.428
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  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.