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NCID-ZINC04897585

 MMsINC code: MMs02414584
Type: Neutral
Formula: C13H19NO6S
SMILES:   S(=O)(=O)(NC1C(O)C(OC1OC)CO)Cc1ccccc1
InChI:   InChI=1/C13H19NO6S/c1-19-13-11(12(16)10(7-15)20-13)14-21(17,18)8-9-5-3-2-4-6-9/h2-6,10-16H,7-8H2,1H3/t10-,11+,12+,13+/m0/s1

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Potential Energy
Epot(MMFF94)=68.1917 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 317.362 g/mol  logS: -1.07667  SlogP: -0.5345  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0722495  Sterimol/B1: 2.35972  Sterimol/B2: 3.69488  Sterimol/B3: 3.81546
  Sterimol/B4: 7.33915  Sterimol/L: 16.6503 
 
 Surface and Volume Properties
  Accessible surface: 543.534  Positive charged surface: 373.772  Negative charged surface: 169.763  Volume: 277.25
  Hydrophobic surface: 383.848  Hydrophilic surface: 159.686
 
 Pharmacophoric Properties
  Hydrogen bond donors: 3  Hydrogen bond acceptors: 6  Acid groups: 0  Basic groups: 0
  Chiral centers: 4
 
 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.