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NCID-ZINC01764613

 MMsINC code: MMs02369068
Type: Ionized
Formula: C6H11O4S-
SMILES:   S(=O)(=O)([O-])C1CCCCC1O
InChI:   InChI=1/C6H12O4S/c7-5-3-1-2-4-6(5)11(8,9)10/h5-7H,1-4H2,(H,8,9,10)/p-1/t5-,6+/m0/s1

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Potential Energy
Epot(MMFF94)=3.35459 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 179.216 g/mol  logS: -0.43599  SlogP: -0.1649  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.25913  Sterimol/B1: 2.84104  Sterimol/B2: 3.30806  Sterimol/B3: 3.58058
  Sterimol/B4: 3.86988  Sterimol/L: 9.49919 
 
 Surface and Volume Properties
  Accessible surface: 320.354  Positive charged surface: 183.103  Negative charged surface: 137.251  Volume: 144.5
  Hydrophobic surface: 192.729  Hydrophilic surface: 127.625
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 3  Basic groups: 0
  Chiral centers: 2
 
 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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Parent related molecule:


MMs02369067
NCID-ZINC01764613