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ASINEX-ZINC00039134

 MMsINC code: MMs00062352
Type: Neutral
Formula: C11H8F3NO2S2
SMILES:   s1cccc1S(=O)(=O)Nc1ccccc1C(F)(F)F
InChI:   InChI=1/C11H8F3NO2S2/c12-11(13,14)8-4-1-2-5-9(8)15-19(16,17)10-6-3-7-18-10/h1-7,15H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=52.0973 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 307.316 g/mol  logS: -4.06828  SlogP: 3.8792  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.322909  Sterimol/B1: 2.93804  Sterimol/B2: 2.95235  Sterimol/B3: 5.11186
  Sterimol/B4: 5.96873  Sterimol/L: 10.7777 
 
 Surface and Volume Properties
  Accessible surface: 436.065  Positive charged surface: 152.621  Negative charged surface: 283.444  Volume: 228
  Hydrophobic surface: 278.538  Hydrophilic surface: 157.527
 
 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.