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ENAMINE-ZINC03407015

 MMsINC code: MMs01423435
Type: Neutral
Formula: C12H9F2NO2S
SMILES:   S(=O)(=O)(Nc1cc(F)ccc1)c1ccccc1F
InChI:   InChI=1/C12H9F2NO2S/c13-9-4-3-5-10(8-9)15-18(16,17)12-7-2-1-6-11(12)14/h1-8,15H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=21.3577 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 269.271 g/mol  logS: -3.63668  SlogP: 2.7656  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.319612  Sterimol/B1: 2.52467  Sterimol/B2: 3.50139  Sterimol/B3: 4.62412
  Sterimol/B4: 6.31241  Sterimol/L: 10.8019 
 
 Surface and Volume Properties
  Accessible surface: 430.267  Positive charged surface: 191.291  Negative charged surface: 238.977  Volume: 219
  Hydrophobic surface: 352.787  Hydrophilic surface: 77.48
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 2  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.