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ENAMINE-ZINC03564551

 MMsINC code: MMs01510702
Type: Neutral
Formula: C7H8N4O2S
SMILES:   S(CC(=O)NC(=O)N)c1ncccn1
InChI:   InChI=1/C7H8N4O2S/c8-6(13)11-5(12)4-14-7-9-2-1-3-10-7/h1-3H,4H2,(H3,8,11,12,13)

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Potential Energy
Epot(MMFF94)=0.59896 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 212.233 g/mol  logS: -2.41797  SlogP: -0.2364  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.00535328  Sterimol/B1: 2.37421  Sterimol/B2: 2.3759  Sterimol/B3: 3.26051
  Sterimol/B4: 4.34765  Sterimol/L: 14.4119 
 
 Surface and Volume Properties
  Accessible surface: 400.673  Positive charged surface: 269.465  Negative charged surface: 131.208  Volume: 177.125
  Hydrophobic surface: 171.458  Hydrophilic surface: 229.215
 
 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.