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ASINEX-ZINC00215964

 MMsINC code: MMs00093592
Type: Ionized
Formula: C10H12NO5S-
SMILES:   S(=O)(=O)(NCCC(=O)[O-])c1ccc(OC)cc1
InChI:   InChI=1/C10H13NO5S/c1-16-8-2-4-9(5-3-8)17(14,15)11-7-6-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)/p-1

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Potential Energy
Epot(MMFF94)=-0.757963 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 258.274 g/mol  logS: -1.41145  SlogP: -0.8865  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.109538  Sterimol/B1: 3.39682  Sterimol/B2: 3.43155  Sterimol/B3: 4.33065
  Sterimol/B4: 6.41966  Sterimol/L: 14.2348 
 
 Surface and Volume Properties
  Accessible surface: 460.244  Positive charged surface: 256.999  Negative charged surface: 203.245  Volume: 218.375
  Hydrophobic surface: 267.168  Hydrophilic surface: 193.076
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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:


MMs00093591
ASINEX-ZINC00215964