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ASINEX-ZINC06681489

 MMsINC code: MMs00444952
Type: Neutral
Formula: C11H8Cl2N2O3S2
SMILES:   Clc1ccc(Cl)cc1NS(=O)(=O)c1cc(sc1)C(=O)N
InChI:   InChI=1/C11H8Cl2N2O3S2/c12-6-1-2-8(13)9(3-6)15-20(17,18)7-4-10(11(14)16)19-5-7/h1-5,15H,(H2,14,16)

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=36.1682 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 351.234 g/mol  logS: -4.57409  SlogP: 2.9546  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.20006  Sterimol/B1: 2.38128  Sterimol/B2: 4.71509  Sterimol/B3: 5.09323
  Sterimol/B4: 6.86463  Sterimol/L: 12.8536 
 
 Surface and Volume Properties
  Accessible surface: 492.86  Positive charged surface: 157.811  Negative charged surface: 335.049  Volume: 260.25
  Hydrophobic surface: 308.343  Hydrophilic surface: 184.517
 
 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.