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MAYBRIDGE-ZINC01027912

 MMsINC code: MMs02148915
Type: Neutral
Formula: C19H14F3NO3S2
SMILES:   s1c(cc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)c1C(=O)C)-c1ccccc1
InChI:   InChI=1/C19H14F3NO3S2/c1-12(24)18-16(11-17(27-18)13-5-3-2-4-6-13)23-28(25,26)15-9-7-14(8-10-15)19(20,21)22/h2-11,23H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=74.0542 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 425.451 g/mol  logS: -6.61739  SlogP: 5.7488  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.229735  Sterimol/B1: 2.4934  Sterimol/B2: 2.77501  Sterimol/B3: 6.82054
  Sterimol/B4: 9.80615  Sterimol/L: 14.4231 
 
 Surface and Volume Properties
  Accessible surface: 610.3  Positive charged surface: 233.413  Negative charged surface: 376.887  Volume: 341
  Hydrophobic surface: 405.281  Hydrophilic surface: 205.019
 
 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: 1  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.