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PUBCHEM-ZINC05946086

 MMsINC code: MMs03455963
Type: Neutral
Formula: C14H12Cl2N2O4S
SMILES:   Clc1ccccc1OCC(=O)NNS(=O)(=O)c1ccc(Cl)cc1
InChI:   InChI=1/C14H12Cl2N2O4S/c15-10-5-7-11(8-6-10)23(20,21)18-17-14(19)9-22-13-4-2-1-3-12(13)16/h1-8,18H,9H2,(H,17,19)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.754 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 375.232 g/mol  logS: -5.10329  SlogP: 2.3819  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0307596  Sterimol/B1: 2.79347  Sterimol/B2: 3.70714  Sterimol/B3: 4.0174
  Sterimol/B4: 6.61702  Sterimol/L: 16.7624 
 
 Surface and Volume Properties
  Accessible surface: 587.93  Positive charged surface: 231.483  Negative charged surface: 356.447  Volume: 299.625
  Hydrophobic surface: 451.38  Hydrophilic surface: 136.55
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.