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ENAMINE-ZINC03186673

 MMsINC code: MMs01299617
Type: Neutral
Formula: C10H15NO3S
SMILES:   S(=O)(=O)(N(CC)CC)c1ccc(O)cc1
InChI:   InChI=1/C10H15NO3S/c1-3-11(4-2)15(13,14)10-7-5-9(12)6-8-10/h5-8,12H,3-4H2,1-2H3

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Potential Energy
Epot(MMFF94)=18.5862 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 229.3 g/mol  logS: -1.59091  SlogP: 1.4227  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132537  Sterimol/B1: 2.44538  Sterimol/B2: 2.54132  Sterimol/B3: 5.17236
  Sterimol/B4: 6.00479  Sterimol/L: 12.5665 
 
 Surface and Volume Properties
  Accessible surface: 417.614  Positive charged surface: 250.837  Negative charged surface: 166.778  Volume: 211
  Hydrophobic surface: 271.881  Hydrophilic surface: 145.733
 
 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.