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ASINEX-ZINC02565670

 MMsINC code: MMs00274924
Type: Neutral
Formula: C4H10N2O4S
SMILES:   S(=O)(=O)(N(C)C)NCC(O)=O
InChI:   InChI=1/C4H10N2O4S/c1-6(2)11(9,10)5-3-4(7)8/h5H,3H2,1-2H3,(H,7,8)

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Potential Energy
Epot(MMFF94)=-27.8522 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 182.2 g/mol  logS: 0.83229  SlogP: -1.533  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.153752  Sterimol/B1: 2.41132  Sterimol/B2: 3.19785  Sterimol/B3: 4.1737
  Sterimol/B4: 4.93425  Sterimol/L: 11.0029 
 
 Surface and Volume Properties
  Accessible surface: 344.143  Positive charged surface: 235.107  Negative charged surface: 109.036  Volume: 146.25
  Hydrophobic surface: 158.144  Hydrophilic surface: 185.999
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  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


MMs00274925
ASINEX-ZINC02565670