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ACROSORGANICS-ZINC04261906

 MMsINC code: MMs00017001
Type: Neutral
Formula: C7H8ClNO2S
SMILES:   ClNS(=O)(=O)c1ccc(cc1)C
InChI:   InChI=1/C7H8ClNO2S/c1-6-2-4-7(5-3-6)12(10,11)9-8/h2-5,9H,1H3

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=17.275 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 205.665 g/mol  logS: -2.85662  SlogP: 1.42712  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0899038  Sterimol/B1: 3.36082  Sterimol/B2: 3.56742  Sterimol/B3: 3.60703
  Sterimol/B4: 3.71464  Sterimol/L: 10.6186 
 
 Surface and Volume Properties
  Accessible surface: 366.371  Positive charged surface: 214.037  Negative charged surface: 152.333  Volume: 167.5
  Hydrophobic surface: 273.233  Hydrophilic surface: 93.138
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.