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PUBCHEM-ZINC03358582

 MMsINC code: MMs03012324
Type: Neutral
Formula: C17H13Cl2N3O3S2
SMILES:   Clc1sc(Cl)cc1S(=O)(=O)Nc1ccc(cc1)C(=O)NCc1ncccc1
InChI:   InChI=1/C17H13Cl2N3O3S2/c18-15-9-14(16(19)26-15)27(24,25)22-12-6-4-11(5-7-12)17(23)21-10-13-3-1-2-8-20-13/h1-9,22H,10H2,(H,21,23)

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Potential Energy
Epot(MMFF94)=58.0881 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 442.347 g/mol  logS: -5.60038  SlogP: 4.4471  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.101114  Sterimol/B1: 4.28724  Sterimol/B2: 4.38769  Sterimol/B3: 4.46868
  Sterimol/B4: 6.30783  Sterimol/L: 17.0418 
 
 Surface and Volume Properties
  Accessible surface: 652.434  Positive charged surface: 277.975  Negative charged surface: 374.459  Volume: 353.375
  Hydrophobic surface: 516.945  Hydrophilic surface: 135.489
 
 Pharmacophoric Properties
  Hydrogen bond donors: 2  Hydrogen bond acceptors: 4  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.