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PUBCHEM-ZINC01323798

 MMsINC code: MMs02796712
Type: Neutral
Formula: C16H15Cl2NO3S2
SMILES:   Clc1cc(Cl)ccc1Oc1ccccc1S(=O)(=O)N1CCSCC1
InChI:   InChI=1/C16H15Cl2NO3S2/c17-12-5-6-14(13(18)11-12)22-15-3-1-2-4-16(15)24(20,21)19-7-9-23-10-8-19/h1-6,11H,7-10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=68.0697 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 404.338 g/mol  logS: -5.69045  SlogP: 4.5232  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.13314  Sterimol/B1: 2.99206  Sterimol/B2: 3.1232  Sterimol/B3: 5.4147
  Sterimol/B4: 8.4474  Sterimol/L: 15.0685 
 
 Surface and Volume Properties
  Accessible surface: 568.978  Positive charged surface: 263.952  Negative charged surface: 305.026  Volume: 331.25
  Hydrophobic surface: 481.815  Hydrophilic surface: 87.163
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 2  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.