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NCID-ZINC01707295

 MMsINC code: MMs02335539
Type: Neutral
Formula: C8H8ClNO3S
SMILES:   ClC(=O)CNS(=O)(=O)c1ccccc1
InChI:   InChI=1/C8H8ClNO3S/c9-8(11)6-10-14(12,13)7-4-2-1-3-5-7/h1-5,10H,6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=19.083 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 233.675 g/mol  logS: -2.37545  SlogP: 0.9958  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.154073  Sterimol/B1: 2.75007  Sterimol/B2: 3.42554  Sterimol/B3: 4.67034
  Sterimol/B4: 5.08179  Sterimol/L: 11.9434 
 
 Surface and Volume Properties
  Accessible surface: 399.972  Positive charged surface: 150.134  Negative charged surface: 249.838  Volume: 184.625
  Hydrophobic surface: 198.275  Hydrophilic surface: 201.697
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 3  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.