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CHEMBLOCK-ZINC01422619

 MMsINC code: MMs00519206
Type: Neutral
Formula: C15H15ClN2O3S2
SMILES:   Clc1sc(S(=O)(=O)Nc2ccc(cc2)C(=O)N2CCCC2)cc1
InChI:   InChI=1/C15H15ClN2O3S2/c16-13-7-8-14(22-13)23(20,21)17-12-5-3-11(4-6-12)15(19)18-9-1-2-10-18/h3-8,17H,1-2,9-10H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=78.7884 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 370.881 g/mol  logS: -4.6498  SlogP: 3.4383  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.122255  Sterimol/B1: 3.28272  Sterimol/B2: 3.60941  Sterimol/B3: 4.81237
  Sterimol/B4: 6.47618  Sterimol/L: 15.1088 
 
 Surface and Volume Properties
  Accessible surface: 569.043  Positive charged surface: 281.59  Negative charged surface: 287.453  Volume: 306
  Hydrophobic surface: 448.757  Hydrophilic surface: 120.286
 
 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.