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PUBCHEM-ZINC02042884

 MMsINC code: MMs02863812
Type: Neutral
Formula: C4H11NO3S
SMILES:   S(O)(=O)(=O)CC(N)CC
InChI:   InChI=1/C4H11NO3S/c1-2-4(5)3-9(6,7)8/h4H,2-3,5H2,1H3,(H,6,7,8)/t4-/m1/s1

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Potential Energy
Epot(MMFF94)=-1.2396 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 153.202 g/mol  logS: 0.16857  SlogP: -0.9542  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.127168  Sterimol/B1: 3.15074  Sterimol/B2: 3.19595  Sterimol/B3: 3.2285
  Sterimol/B4: 3.52724  Sterimol/L: 10.9357 
 
 Surface and Volume Properties
  Accessible surface: 316.448  Positive charged surface: 191.78  Negative charged surface: 124.669  Volume: 130.375
  Hydrophobic surface: 134.535  Hydrophilic surface: 181.913
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  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.