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PUBCHEM-ZINC02497667

 MMsINC code: MMs02889710
Type: Neutral
Formula: C18H12F3NO2S
SMILES:   S1(=O)(=O)N(c2c3c(ccc2)cccc13)Cc1cc(ccc1)C(F)(F)F
InChI:   InChI=1/C18H12F3NO2S/c19-18(20,21)14-7-1-4-12(10-14)11-22-15-8-2-5-13-6-3-9-16(17(13)15)25(22,23)24/h1-10H,11H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=88.0622 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 363.359 g/mol  logS: -6.17913  SlogP: 5.1454  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.12785  Sterimol/B1: 2.49081  Sterimol/B2: 3.25421  Sterimol/B3: 4.07413
  Sterimol/B4: 7.36031  Sterimol/L: 13.6758 
 
 Surface and Volume Properties
  Accessible surface: 525.376  Positive charged surface: 205.988  Negative charged surface: 308.317  Volume: 294
  Hydrophobic surface: 355.333  Hydrophilic surface: 170.043
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.