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ACROSORGANICS-ZINC01529636

 MMsINC code: MMs00008877
Type: Neutral
Formula: C3H9NO3S
SMILES:   S(O)(=O)(=O)CCCN
InChI:   InChI=1/C3H9NO3S/c4-2-1-3-8(5,6)7/h1-4H2,(H,5,6,7)

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Potential Energy
Epot(MMFF94)=-11.0955 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 139.175 g/mol  logS: 0.49578  SlogP: -1.3427  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.091213  Sterimol/B1: 2.77216  Sterimol/B2: 2.95478  Sterimol/B3: 3.0858
  Sterimol/B4: 3.20161  Sterimol/L: 10.6605 
 
 Surface and Volume Properties
  Accessible surface: 300.982  Positive charged surface: 187.541  Negative charged surface: 113.441  Volume: 112.875
  Hydrophobic surface: 110.652  Hydrophilic surface: 190.33
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  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.