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ASINEX-ZINC03865753

 MMsINC code: MMs00290751
Type: Neutral
Formula: C4H10N2O3S
SMILES:   S1(=O)(=O)CC(NN)C(O)C1
InChI:   InChI=1/C4H10N2O3S/c5-6-3-1-10(8,9)2-4(3)7/h3-4,6-7H,1-2,5H2/t3-,4-/m1/s1

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Potential Energy
Epot(MMFF94)=42.7762 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 166.201 g/mol  logS: 0.6807  SlogP: -2.3924  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.348216  Sterimol/B1: 2.5285  Sterimol/B2: 2.83476  Sterimol/B3: 4.30614
  Sterimol/B4: 5.47814  Sterimol/L: 8.4983 
 
 Surface and Volume Properties
  Accessible surface: 309.61  Positive charged surface: 189.393  Negative charged surface: 120.217  Volume: 131.25
  Hydrophobic surface: 109.674  Hydrophilic surface: 199.936
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 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.