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CHEMBRIDGE-ZINC01185749

 MMsINC code: MMs00683476
Type: Neutral
Formula: C18H11F3N2O2S2
SMILES:   s1c2c(nc1SC1CC(=O)N(C1=O)c1ccccc1C(F)(F)F)cccc2
InChI:   InChI=1/C18H11F3N2O2S2/c19-18(20,21)10-5-1-3-7-12(10)23-15(24)9-14(16(23)25)27-17-22-11-6-2-4-8-13(11)26-17/h1-8,14H,9H2/t14-/m0/s1

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Potential Energy
Epot(MMFF94)=90.9277 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 408.424 g/mol  logS: -7.05819  SlogP: 5.0508  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.120813  Sterimol/B1: 2.31919  Sterimol/B2: 3.54737  Sterimol/B3: 5.3413
  Sterimol/B4: 7.60031  Sterimol/L: 15.6093 
 
 Surface and Volume Properties
  Accessible surface: 575.111  Positive charged surface: 239.486  Negative charged surface: 335.625  Volume: 321.5
  Hydrophobic surface: 385.772  Hydrophilic surface: 189.339
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 1
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.