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ENAMINE-ZINC02617457

 MMsINC code: MMs01253267
Type: Neutral
Formula: C15H15NO6S
SMILES:   S(=O)(=O)(N(C)C)c1ccc(cc1)C(OC=1C=C(OC(=O)C=1)C)=O
InChI:   InChI=1/C15H15NO6S/c1-10-8-12(9-14(17)21-10)22-15(18)11-4-6-13(7-5-11)23(19,20)16(2)3/h4-9H,1-3H3

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Potential Energy
Epot(MMFF94)=69.3049 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 337.352 g/mol  logS: -3.61596  SlogP: 1.4382  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0693927  Sterimol/B1: 2.07576  Sterimol/B2: 3.32961  Sterimol/B3: 4.40627
  Sterimol/B4: 6.48732  Sterimol/L: 16.3636 
 
 Surface and Volume Properties
  Accessible surface: 566.875  Positive charged surface: 327.63  Negative charged surface: 239.245  Volume: 289.125
  Hydrophobic surface: 411.786  Hydrophilic surface: 155.089
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 4  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.