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ENAMINE-ZINC02726640

 MMsINC code: MMs01286969
Type: Neutral
Formula: C11H7ClF3NO2S2
SMILES:   Clc1sc(S(=O)(=O)Nc2cc(ccc2)C(F)(F)F)cc1
InChI:   InChI=1/C11H7ClF3NO2S2/c12-9-4-5-10(19-9)20(17,18)16-8-3-1-2-7(6-8)11(13,14)15/h1-6,16H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=49.3636 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 341.761 g/mol  logS: -5.11383  SlogP: 4.5326  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.26828  Sterimol/B1: 2.49696  Sterimol/B2: 3.38172  Sterimol/B3: 5.24044
  Sterimol/B4: 6.62465  Sterimol/L: 12.0561 
 
 Surface and Volume Properties
  Accessible surface: 477.811  Positive charged surface: 131.501  Negative charged surface: 346.31  Volume: 243.625
  Hydrophobic surface: 291.419  Hydrophilic surface: 186.392
 
 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.