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PUBCHEM-ZINC00645330

 MMsINC code: MMs02719689
Type: Neutral
Formula: C14H14ClNO4S2
SMILES:   Clc1cc(NS(=O)(=O)c2cc(S(=O)(=O)C)ccc2C)ccc1
InChI:   InChI=1/C14H14ClNO4S2/c1-10-6-7-13(21(2,17)18)9-14(10)22(19,20)16-12-5-3-4-11(15)8-12/h3-9,16H,1-2H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=51.6673 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 359.854 g/mol  logS: -4.08217  SlogP: 2.85272  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.288689  Sterimol/B1: 2.42457  Sterimol/B2: 3.62743  Sterimol/B3: 5.12268
  Sterimol/B4: 9.32554  Sterimol/L: 11.6995 
 
 Surface and Volume Properties
  Accessible surface: 515.812  Positive charged surface: 211.03  Negative charged surface: 304.782  Volume: 290.25
  Hydrophobic surface: 377.435  Hydrophilic surface: 138.377
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.