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ENAMINE-ZINC03413080

 MMsINC code: MMs01427100
Type: Neutral
Formula: C12H7Cl2FO3S
SMILES:   Clc1ccc(Cl)cc1OS(=O)(=O)c1ccc(F)cc1
InChI:   InChI=1/C12H7Cl2FO3S/c13-8-1-6-11(14)12(7-8)18-19(16,17)10-4-2-9(15)3-5-10/h1-7H

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=72.5255 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 321.155 g/mol  logS: -5.24577  SlogP: 3.9002  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.103164  Sterimol/B1: 3.36185  Sterimol/B2: 3.77176  Sterimol/B3: 4.07376
  Sterimol/B4: 5.07978  Sterimol/L: 13.2545 
 
 Surface and Volume Properties
  Accessible surface: 441.368  Positive charged surface: 148.606  Negative charged surface: 292.763  Volume: 239.25
  Hydrophobic surface: 371.257  Hydrophilic surface: 70.111
 
 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.