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CHEMDIV-ZINC00186100

 MMsINC code: MMs00836741
Type: Neutral
Formula: C12H15ClN2O3S
SMILES:   Clc1ccccc1S(=O)(=O)NC(=O)NC1CCCC1
InChI:   InChI=1/C12H15ClN2O3S/c13-10-7-3-4-8-11(10)19(17,18)15-12(16)14-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H2,14,15,16)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-30.7929 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 302.782 g/mol  logS: -3.34149  SlogP: 2.2705  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.132555  Sterimol/B1: 2.37535  Sterimol/B2: 3.3038  Sterimol/B3: 4.89871
  Sterimol/B4: 6.42397  Sterimol/L: 13.5641 
 
 Surface and Volume Properties
  Accessible surface: 501.061  Positive charged surface: 278.955  Negative charged surface: 222.106  Volume: 255.75
  Hydrophobic surface: 392.153  Hydrophilic surface: 108.908
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  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.