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APOLLO-ZINC00134963

 MMsINC code: MMs00043424
Type: Neutral
Formula: C10H11N3O4S
SMILES:   S(=O)(=O)(N1CC(=O)NC(=O)C1)c1ccc(N)cc1
InChI:   InChI=1/C10H11N3O4S/c11-7-1-3-8(4-2-7)18(16,17)13-5-9(14)12-10(15)6-13/h1-4H,5-6,11H2,(H,12,14,15)

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Potential Energy
Epot(MMFF94)=44.9431 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.281 g/mol  logS: -1.72804  SlogP: -1.0841  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.243722  Sterimol/B1: 2.74369  Sterimol/B2: 4.23218  Sterimol/B3: 4.34423
  Sterimol/B4: 5.15677  Sterimol/L: 11.3855 
 
 Surface and Volume Properties
  Accessible surface: 433.982  Positive charged surface: 237.406  Negative charged surface: 196.575  Volume: 217.875
  Hydrophobic surface: 179.397  Hydrophilic surface: 254.585
 
 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.