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PUBCHEM-ZINC02868806

 MMsINC code: MMs02947768
Type: Neutral
Formula: C17H15Cl2FN2O5S
SMILES:   Clc1ccc(NC(=O)CN(S(=O)(=O)C)c2cc(Cl)c(F)cc2)cc1C(OC)=O
InChI:   InChI=1/C17H15Cl2FN2O5S/c1-27-17(24)12-7-10(3-5-13(12)18)21-16(23)9-22(28(2,25)26)11-4-6-15(20)14(19)8-11/h3-8H,9H2,1-2H3,(H,21,23)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=111.184 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 449.286 g/mol  logS: -5.44016  SlogP: 3.3238  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.195204  Sterimol/B1: 2.08659  Sterimol/B2: 4.74347  Sterimol/B3: 5.3417
  Sterimol/B4: 8.87357  Sterimol/L: 15.1138 
 
 Surface and Volume Properties
  Accessible surface: 647.769  Positive charged surface: 310.903  Negative charged surface: 336.866  Volume: 354.875
  Hydrophobic surface: 523.171  Hydrophilic surface: 124.598
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 4  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.