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ASINEX-ZINC04992808

 MMsINC code: MMs00425026
Type: Ionized
Formula: C8H14NO4S-
SMILES:   S(=O)(=O)(NC1(CCCCC1)C(=O)[O-])C
InChI:   InChI=1/C8H15NO4S/c1-14(12,13)9-8(7(10)11)5-3-2-4-6-8/h9H,2-6H2,1H3,(H,10,11)/p-1

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Potential Energy
Epot(MMFF94)=15.9801 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 220.269 g/mol  logS: -1.12643  SlogP: -1.0116  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.26793  Sterimol/B1: 3.64912  Sterimol/B2: 3.82913  Sterimol/B3: 4.3335
  Sterimol/B4: 4.57247  Sterimol/L: 10.3917 
 
 Surface and Volume Properties
  Accessible surface: 372.625  Positive charged surface: 212.916  Negative charged surface: 159.709  Volume: 188.875
  Hydrophobic surface: 237.743  Hydrophilic surface: 134.882
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  Acid groups: 2  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:


MMs00425025
ASINEX-ZINC04992808