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CHEMBRIDGE-ZINC01167633

 MMsINC code: MMs00678382
Type: Neutral
Formula: C17H13FN2O3S2
SMILES:   S1\C(=C\c2sc(cc2)C)\C(=O)N(CC(=O)Nc2ccccc2F)C1=O
InChI:   InChI=1/C17H13FN2O3S2/c1-10-6-7-11(24-10)8-14-16(22)20(17(23)25-14)9-15(21)19-13-5-3-2-4-12(13)18/h2-8H,9H2,1H3,(H,19,21)/b14-8+

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Potential Energy
Epot(MMFF94)=75.6683 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 376.432 g/mol  logS: -5.39614  SlogP: 3.87062  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.088373  Sterimol/B1: 2.00987  Sterimol/B2: 3.76925  Sterimol/B3: 4.3231
  Sterimol/B4: 9.54402  Sterimol/L: 15.4177 
 
 Surface and Volume Properties
  Accessible surface: 594.213  Positive charged surface: 291.181  Negative charged surface: 303.032  Volume: 315.625
  Hydrophobic surface: 450.977  Hydrophilic surface: 143.236
 
 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.