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ENAMINE-ZINC03344343

 MMsINC code: MMs01385164
Type: Neutral
Formula: C15H14Cl2N2O3S2
SMILES:   Clc1sc(Cl)cc1S(=O)(=O)Nc1ccc(cc1)C(=O)N1CCCC1
InChI:   InChI=1/C15H14Cl2N2O3S2/c16-13-9-12(14(17)23-13)24(21,22)18-11-5-3-10(4-6-11)15(20)19-7-1-2-8-19/h3-6,9,18H,1-2,7-8H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=70.4172 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 405.326 g/mol  logS: -5.38409  SlogP: 4.0917  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116978  Sterimol/B1: 3.44061  Sterimol/B2: 4.09775  Sterimol/B3: 4.91657
  Sterimol/B4: 6.55738  Sterimol/L: 14.9487 
 
 Surface and Volume Properties
  Accessible surface: 577.052  Positive charged surface: 255.556  Negative charged surface: 321.497  Volume: 322
  Hydrophobic surface: 465.176  Hydrophilic surface: 111.876
 
 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.