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ACROSORGANICS-ZINC03860168

 MMsINC code: MMs00015290
Type: Neutral
Formula: C2H7NO4S
SMILES:   S(OCCN)(O)(=O)=O
InChI:   InChI=1/C2H7NO4S/c3-1-2-7-8(4,5)6/h1-3H2,(H,4,5,6)

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Potential Energy
Epot(MMFF94)=-10.9279 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 141.147 g/mol  logS: 0.44299  SlogP: -1.8012  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134708  Sterimol/B1: 2.65463  Sterimol/B2: 2.74993  Sterimol/B3: 3.41039
  Sterimol/B4: 3.41436  Sterimol/L: 8.96942 
 
 Surface and Volume Properties
  Accessible surface: 288.286  Positive charged surface: 174.73  Negative charged surface: 113.555  Volume: 101.75
  Hydrophobic surface: 83.4255  Hydrophilic surface: 204.8605
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 5  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.