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ENAMINE-ZINC03490325

 MMsINC code: MMs01470931
Type: Neutral
Formula: C15H14FNO4S
SMILES:   S(=O)(=O)(NC)c1cc(ccc1)C(OCc1ccccc1F)=O
InChI:   InChI=1/C15H14FNO4S/c1-17-22(19,20)13-7-4-6-11(9-13)15(18)21-10-12-5-2-3-8-14(12)16/h2-9,17H,10H2,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=30.909 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 323.344 g/mol  logS: -3.66747  SlogP: 2.3572  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0347647  Sterimol/B1: 2.41735  Sterimol/B2: 2.55815  Sterimol/B3: 4.76205
  Sterimol/B4: 6.52192  Sterimol/L: 16.3088 
 
 Surface and Volume Properties
  Accessible surface: 537.512  Positive charged surface: 288.248  Negative charged surface: 249.264  Volume: 281.625
  Hydrophobic surface: 404.765  Hydrophilic surface: 132.747
 
 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.