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IBS-ZINC04813914

 MMsINC code: MMs01897693
Type: Neutral
Formula: C6H7N3O2S
SMILES:   s1cc(nc1/C(=N/O)/C(=O)N)C
InChI:   InChI=1/C6H7N3O2S/c1-3-2-12-6(8-3)4(9-11)5(7)10/h2,11H,1H3,(H2,7,10)/b9-4-

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Potential Energy
Epot(MMFF94)=62.5654 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 185.207 g/mol  logS: -0.79841  SlogP: 0.11512  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0109358  Sterimol/B1: 2.18484  Sterimol/B2: 2.51204  Sterimol/B3: 4.12564
  Sterimol/B4: 4.70639  Sterimol/L: 11.6252 
 
 Surface and Volume Properties
  Accessible surface: 358.621  Positive charged surface: 210.369  Negative charged surface: 148.253  Volume: 153.75
  Hydrophobic surface: 169.557  Hydrophilic surface: 189.064
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.