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ENAMINE-ZINC03474365

 MMsINC code: MMs01462784
Type: Neutral
Formula: C15H14F2N2O2S
SMILES:   S(=O)(=O)(N\N=C\c1ccc(F)cc1F)c1cc(ccc1C)C
InChI:   InChI=1/C15H14F2N2O2S/c1-10-3-4-11(2)15(7-10)22(20,21)19-18-9-12-5-6-13(16)8-14(12)17/h3-9,19H,1-2H3/b18-9+

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=85.9539 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 324.351 g/mol  logS: -4.73699  SlogP: 2.89404  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.134635  Sterimol/B1: 2.10368  Sterimol/B2: 4.30809  Sterimol/B3: 4.53059
  Sterimol/B4: 7.71754  Sterimol/L: 13.4231 
 
 Surface and Volume Properties
  Accessible surface: 532.956  Positive charged surface: 277.851  Negative charged surface: 255.105  Volume: 278.25
  Hydrophobic surface: 434.094  Hydrophilic surface: 98.862
 
 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.