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PUBCHEM-ZINC00401231

 MMsINC code: MMs02675710
Type: Neutral
Formula: C14H15NO3S
SMILES:   S(=O)(=O)(Nc1ccccc1CO)c1ccc(cc1)C
InChI:   InChI=1/C14H15NO3S/c1-11-6-8-13(9-7-11)19(17,18)15-14-5-3-2-4-12(14)10-16/h2-9,15-16H,10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=46.8959 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 277.344 g/mol  logS: -3.29166  SlogP: 2.55452  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.301444  Sterimol/B1: 2.47119  Sterimol/B2: 4.36845  Sterimol/B3: 4.47899
  Sterimol/B4: 6.47762  Sterimol/L: 11.9306 
 
 Surface and Volume Properties
  Accessible surface: 481.894  Positive charged surface: 272.714  Negative charged surface: 209.18  Volume: 253.875
  Hydrophobic surface: 351.362  Hydrophilic surface: 130.532
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.