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ASINEX-ZINC02484656

 MMsINC code: MMs00272964
Type: Ionized
Formula: C6H8O5S-2
SMILES:   S(=O)(CCC(=O)[O-])CCC(=O)[O-]
InChI:   InChI=1/C6H10O5S/c7-5(8)1-3-12(11)4-2-6(9)10/h1-4H2,(H,7,8)(H,9,10)/p-2

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Potential Energy
Epot(MMFF94)=-2.23182 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 192.191 g/mol  logS: -0.12761  SlogP: -2.9849  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0619886  Sterimol/B1: 2.58681  Sterimol/B2: 3.0228  Sterimol/B3: 3.11243
  Sterimol/B4: 3.84828  Sterimol/L: 13.2894 
 
 Surface and Volume Properties
  Accessible surface: 365.797  Positive charged surface: 184.049  Negative charged surface: 181.748  Volume: 156.875
  Hydrophobic surface: 139.463  Hydrophilic surface: 226.334
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 1  Acid groups: 4  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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Parent related molecule:


MMs00272963
ASINEX-ZINC02484656