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NCID-ZINC01583780

 MMsINC code: MMs02240574
Type: Neutral
Formula: C8H7Cl3O2S
SMILES:   ClC(Cl)(Cl)S(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C8H7Cl3O2S/c1-6-2-4-7(5-3-6)14(12,13)8(9,10)11/h2-5H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=56.7151 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 273.567 g/mol  logS: -4.46321  SlogP: 3.51632  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.106  Sterimol/B1: 3.49114  Sterimol/B2: 3.57308  Sterimol/B3: 3.61676
  Sterimol/B4: 3.61868  Sterimol/L: 12.5673 
 
 Surface and Volume Properties
  Accessible surface: 406.623  Positive charged surface: 116.503  Negative charged surface: 290.12  Volume: 202.375
  Hydrophobic surface: 194.696  Hydrophilic surface: 211.927
 
 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.