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PUBCHEM-ZINC06030290

 MMsINC code: MMs03502769
Type: Neutral
Formula: C2H5ClO2S
SMILES:   ClC(S(O)=O)C
InChI:   InChI=1/C2H5ClO2S/c1-2(3)6(4)5/h2H,1H3,(H,4,5)/t2-/m1/s1

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Potential Energy
Epot(MMFF94)=18.1941 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 128.579 g/mol  logS: -0.73379  SlogP: 0.6471  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.177089  Sterimol/B1: 2.44133  Sterimol/B2: 2.81653  Sterimol/B3: 3.65254
  Sterimol/B4: 3.71733  Sterimol/L: 8.40443 
 
 Surface and Volume Properties
  Accessible surface: 261.953  Positive charged surface: 132.651  Negative charged surface: 129.301  Volume: 94.125
  Hydrophobic surface: 74.122  Hydrophilic surface: 187.831
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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


MMs03502770
PUBCHEM-ZINC06030290