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ENAMINE-ZINC03525862

 MMsINC code: MMs01491555
Type: Neutral
Formula: C15H15NO4S
SMILES:   S(=O)(=O)(NC)c1cc(ccc1)C(OCc1ccccc1)=O
InChI:   InChI=1/C15H15NO4S/c1-16-21(18,19)14-9-5-8-13(10-14)15(17)20-11-12-6-3-2-4-7-12/h2-10,16H,11H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=33.4434 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 305.354 g/mol  logS: -3.37249  SlogP: 2.2181  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0659885  Sterimol/B1: 2.161  Sterimol/B2: 3.07046  Sterimol/B3: 4.51924
  Sterimol/B4: 6.55061  Sterimol/L: 16.3277 
 
 Surface and Volume Properties
  Accessible surface: 539.752  Positive charged surface: 312.041  Negative charged surface: 227.711  Volume: 274.75
  Hydrophobic surface: 406.126  Hydrophilic surface: 133.626
 
 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.