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CHEMDIV-ZINC06916785

 MMsINC code: MMs01061564
Type: Neutral
Formula: C12H9ClFNO4S2
SMILES:   Clc1cc(F)ccc1NS(=O)(=O)c1ccsc1C(OC)=O
InChI:   InChI=1/C12H9ClFNO4S2/c1-19-12(16)11-10(4-5-20-11)21(17,18)15-9-3-2-7(14)6-8(9)13/h2-6,15H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.7032 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 349.79 g/mol  logS: -4.26439  SlogP: 3.128  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.191193  Sterimol/B1: 2.45908  Sterimol/B2: 3.52936  Sterimol/B3: 5.48396
  Sterimol/B4: 7.66892  Sterimol/L: 12.8946 
 
 Surface and Volume Properties
  Accessible surface: 497.321  Positive charged surface: 210.161  Negative charged surface: 287.16  Volume: 261.25
  Hydrophobic surface: 408.491  Hydrophilic surface: 88.83
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.