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NCID-ZINC04896001

 MMsINC code: MMs02413162
Type: Neutral
Formula: C8H11NO4S
SMILES:   S(ON)(=O)c1cc(OC)ccc1OC
InChI:   InChI=1/C8H11NO4S/c1-11-6-3-4-7(12-2)8(5-6)14(10)13-9/h3-5H,9H2,1-2H3/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=84.9367 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 217.245 g/mol  logS: -2.11629  SlogP: 0.6167  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0464163  Sterimol/B1: 2.46802  Sterimol/B2: 2.53871  Sterimol/B3: 3.57048
  Sterimol/B4: 7.61253  Sterimol/L: 11.8541 
 
 Surface and Volume Properties
  Accessible surface: 415.688  Positive charged surface: 310.211  Negative charged surface: 105.478  Volume: 184.875
  Hydrophobic surface: 273.669  Hydrophilic surface: 142.019
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  Acid groups: 0  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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Ions/Tautomers related molecules: no related molecules available.