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APOLLO-ZINC04100456

 MMsINC code: MMs00056761
Type: Neutral
Formula: C12H4ClF5O3S
SMILES:   Clc1ccc(S(Oc2c(F)c(F)c(F)c(F)c2F)(=O)=O)cc1
InChI:   InChI=1/C12H4ClF5O3S/c13-5-1-3-6(4-2-5)22(19,20)21-12-10(17)8(15)7(14)9(16)11(12)18/h1-4H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=62.067 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 358.67 g/mol  logS: -5.6914  SlogP: 3.8032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.099571  Sterimol/B1: 2.66567  Sterimol/B2: 3.76396  Sterimol/B3: 4.08939
  Sterimol/B4: 5.43939  Sterimol/L: 13.0404 
 
 Surface and Volume Properties
  Accessible surface: 450.284  Positive charged surface: 122.366  Negative charged surface: 327.918  Volume: 235
  Hydrophobic surface: 380.898  Hydrophilic surface: 69.386
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  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.