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ENAMINE-ZINC01255469

 MMsINC code: MMs01239431
Type: Neutral
Formula: C15H14Cl2N2O4S
SMILES:   Clc1cc(Cl)ccc1OCC(=O)NNS(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C15H14Cl2N2O4S/c1-10-2-5-12(6-3-10)24(21,22)19-18-15(20)9-23-14-7-4-11(16)8-13(14)17/h2-8,19H,9H2,1H3,(H,18,20)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=103.119 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 389.259 g/mol  logS: -5.57721  SlogP: 2.69032  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0286464  Sterimol/B1: 2.35826  Sterimol/B2: 2.63484  Sterimol/B3: 4.04331
  Sterimol/B4: 7.91381  Sterimol/L: 17.8342 
 
 Surface and Volume Properties
  Accessible surface: 618.392  Positive charged surface: 260.781  Negative charged surface: 357.611  Volume: 315.5
  Hydrophobic surface: 482.291  Hydrophilic surface: 136.101
 
 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.