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PUBCHEM-ZINC06025926

 MMsINC code: MMs03500868
Type: Neutral
Formula: C18H15F3N4O3S
SMILES:   S(=O)(=O)(NC(=O)Nc1cc(ccc1-n1ccnc1)C(F)(F)F)c1ccc(cc1)C
InChI:   InChI=1/C18H15F3N4O3S/c1-12-2-5-14(6-3-12)29(27,28)24-17(26)23-15-10-13(18(19,20)21)4-7-16(15)25-9-8-22-11-25/h2-11H,1H3,(H2,23,24,26)

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Potential Energy
Epot(MMFF94)=51.2384 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 424.403 g/mol  logS: -5.3277  SlogP: 4.02142  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0793773  Sterimol/B1: 2.54774  Sterimol/B2: 5.30702  Sterimol/B3: 5.66743
  Sterimol/B4: 6.87875  Sterimol/L: 16.1886 
 
 Surface and Volume Properties
  Accessible surface: 617.756  Positive charged surface: 296.701  Negative charged surface: 321.056  Volume: 343.375
  Hydrophobic surface: 380.658  Hydrophilic surface: 237.098
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.