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CHEMSTAR-ZINC04124766

 MMsINC code: MMs01107810
Type: Neutral
Formula: C6H7N3O3S
SMILES:   s1cc(nc1N)/C(=N\O)/C(OC)=O
InChI:   InChI=1/C6H7N3O3S/c1-12-5(10)4(9-11)3-2-13-6(7)8-3/h2,11H,1H3,(H2,7,8)/b9-4-

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Potential Energy
Epot(MMFF94)=55.4119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 201.206 g/mol  logS: -1.25835  SlogP: 0.0766  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0103485  Sterimol/B1: 2.24282  Sterimol/B2: 2.37456  Sterimol/B3: 2.37543
  Sterimol/B4: 5.85701  Sterimol/L: 11.9753 
 
 Surface and Volume Properties
  Accessible surface: 386.208  Positive charged surface: 250.045  Negative charged surface: 136.163  Volume: 165
  Hydrophobic surface: 190.056  Hydrophilic surface: 196.152
 
 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.