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MAYBRIDGE-ZINC01027959

 MMsINC code: MMs02148920
Type: Neutral
Formula: C19H14F3NO4S2
SMILES:   s1c(cc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1C(=O)C)-c1ccccc1
InChI:   InChI=1/C19H14F3NO4S2/c1-12(24)18-16(11-17(28-18)13-5-3-2-4-6-13)23-29(25,26)15-9-7-14(8-10-15)27-19(20,21)22/h2-11,23H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=75.0775 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 441.45 g/mol  logS: -6.75017  SlogP: 5.737  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.264968  Sterimol/B1: 2.28524  Sterimol/B2: 2.2936  Sterimol/B3: 7.28577
  Sterimol/B4: 10.2203  Sterimol/L: 14.2897 
 
 Surface and Volume Properties
  Accessible surface: 621.045  Positive charged surface: 246.026  Negative charged surface: 375.019  Volume: 349.75
  Hydrophobic surface: 403.341  Hydrophilic surface: 217.704
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.