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MAYBRIDGE-ZINC04332759

 MMsINC code: MMs02167390
Type: Neutral
Formula: C14H15NO4S2
SMILES:   s1cccc1S(Oc1ccccc1N1CCOCC1)(=O)=O
InChI:   InChI=1/C14H15NO4S2/c16-21(17,14-6-3-11-20-14)19-13-5-2-1-4-12(13)15-7-9-18-10-8-15/h1-6,11H,7-10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=144.905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 325.409 g/mol  logS: -3.66611  SlogP: 2.3524  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.10972  Sterimol/B1: 2.49795  Sterimol/B2: 3.57286  Sterimol/B3: 3.73879
  Sterimol/B4: 7.85934  Sterimol/L: 13.9265 
 
 Surface and Volume Properties
  Accessible surface: 497.249  Positive charged surface: 290.186  Negative charged surface: 207.064  Volume: 275.125
  Hydrophobic surface: 417.189  Hydrophilic surface: 80.06
 
 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.