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CHEMBLOCK-ZINC03622334

 MMsINC code: MMs00538249
Type: Neutral
Formula: C19H18F3NO4S
SMILES:   S(=O)(=O)(NC(CC(=C)c1ccccc1)(C(OC)=O)C(F)(F)F)c1ccccc1
InChI:   InChI=1/C19H18F3NO4S/c1-14(15-9-5-3-6-10-15)13-18(17(24)27-2,19(20,21)22)23-28(25,26)16-11-7-4-8-12-16/h3-12,23H,1,13H2,2H3/t18-/m0/s1

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Potential Energy
Epot(MMFF94)=114.339 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 413.416 g/mol  logS: -5.18311  SlogP: 3.9624  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.192667  Sterimol/B1: 3.4841  Sterimol/B2: 4.54531  Sterimol/B3: 4.59092
  Sterimol/B4: 7.87899  Sterimol/L: 13.6782 
 
 Surface and Volume Properties
  Accessible surface: 554.439  Positive charged surface: 299.259  Negative charged surface: 255.18  Volume: 341.375
  Hydrophobic surface: 403.413  Hydrophilic surface: 151.026
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.