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ENAMINE-ZINC05121379

 MMsINC code: MMs01589981
Type: Neutral
Formula: C15H16FNO2S
SMILES:   S(=O)(=O)(Nc1ccc(F)cc1)c1ccc(cc1)C(C)C
InChI:   InChI=1/C15H16FNO2S/c1-11(2)12-3-9-15(10-4-12)20(18,19)17-14-7-5-13(16)6-8-14/h3-11,17H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.993 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 293.362 g/mol  logS: -4.84606  SlogP: 3.7499  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12096  Sterimol/B1: 3.04054  Sterimol/B2: 4.03269  Sterimol/B3: 5.10352
  Sterimol/B4: 5.29527  Sterimol/L: 13.8337 
 
 Surface and Volume Properties
  Accessible surface: 503.85  Positive charged surface: 277.639  Negative charged surface: 226.212  Volume: 269
  Hydrophobic surface: 380.17  Hydrophilic surface: 123.68
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.