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PUBCHEM-ZINC05131799

 MMsINC code: MMs03206692
Type: Neutral
Formula: C3H9NO4S
SMILES:   S(O)(=O)(=O)CC(N)CO
InChI:   InChI=1/C3H9NO4S/c4-3(1-5)2-9(6,7)8/h3,5H,1-2,4H2,(H,6,7,8)/t3-/m0/s1

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Potential Energy
Epot(MMFF94)=8.20814 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 155.174 g/mol  logS: 0.90009  SlogP: -2.3719  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.130497  Sterimol/B1: 2.66848  Sterimol/B2: 2.79224  Sterimol/B3: 3.58204
  Sterimol/B4: 4.05037  Sterimol/L: 10.5892 
 
 Surface and Volume Properties
  Accessible surface: 307.209  Positive charged surface: 185.586  Negative charged surface: 121.623  Volume: 118.75
  Hydrophobic surface: 92.0048  Hydrophilic surface: 215.2042
 
 Pharmacophoric Properties
  Hydrogen bond donors: 5  Hydrogen bond acceptors: 5  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 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.