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PUBCHEM-ZINC03098733

 MMsINC code: MMs02993326
Type: Neutral
Formula: C11H15ClN2O3S
SMILES:   Clc1ccc(S(=O)(=O)NC(=O)NCCCC)cc1
InChI:   InChI=1/C11H15ClN2O3S/c1-2-3-8-13-11(15)14-18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3,(H2,13,14,15)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=-37.7051 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 290.771 g/mol  logS: -3.42977  SlogP: 2.128  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0762793  Sterimol/B1: 3.15889  Sterimol/B2: 4.30672  Sterimol/B3: 4.74288
  Sterimol/B4: 5.54435  Sterimol/L: 15.3475 
 
 Surface and Volume Properties
  Accessible surface: 511.496  Positive charged surface: 277.728  Negative charged surface: 233.768  Volume: 248.375
  Hydrophobic surface: 364.643  Hydrophilic surface: 146.853
 
 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.