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NCID-ZINC05191157

 MMsINC code: MMs02447410
Type: Neutral
Formula: C10H13Cl2NO2S2
SMILES:   ClCCS(=NS(=O)(=O)c1ccccc1)CCCl
InChI:   InChI=1/C10H13Cl2NO2S2/c11-6-8-16(9-7-12)13-17(14,15)10-4-2-1-3-5-10/h1-5H,6-9H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=58.9175 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 314.257 g/mol  logS: -4.03387  SlogP: 2.7599  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.107467  Sterimol/B1: 3.13662  Sterimol/B2: 3.61106  Sterimol/B3: 5.05744
  Sterimol/B4: 5.73161  Sterimol/L: 14.2358 
 
 Surface and Volume Properties
  Accessible surface: 494.14  Positive charged surface: 201.893  Negative charged surface: 292.246  Volume: 255.125
  Hydrophobic surface: 285.964  Hydrophilic surface: 208.176
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 0  Acid groups: 3  Basic groups: 1
  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.