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ENAMINE-ZINC05345158

 MMsINC code: MMs01608321
Type: Neutral
Formula: C14H10F3N5O2S
SMILES:   S(=O)(=O)(Nc1cc(ccc1)C(F)(F)F)c1cc(-n2nnnc2)ccc1
InChI:   InChI=1/C14H10F3N5O2S/c15-14(16,17)10-3-1-4-11(7-10)19-25(23,24)13-6-2-5-12(8-13)22-9-18-20-21-22/h1-9,19H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=67.0446 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 369.327 g/mol  logS: -3.77172  SlogP: 2.7934  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.20404  Sterimol/B1: 3.69379  Sterimol/B2: 4.31336  Sterimol/B3: 5.06859
  Sterimol/B4: 5.77024  Sterimol/L: 13.5376 
 
 Surface and Volume Properties
  Accessible surface: 536.726  Positive charged surface: 188.932  Negative charged surface: 313.715  Volume: 281.375
  Hydrophobic surface: 303.768  Hydrophilic surface: 232.958
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 5  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.