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MAYBRIDGE-ZINC01032370

 MMsINC code: MMs02149777
Type: Neutral
Formula: C12H9Cl2NO4S2
SMILES:   Clc1sc(Cl)cc1S(=O)(=O)NCc1cc2OCOc2cc1
InChI:   InChI=1/C12H9Cl2NO4S2/c13-11-4-10(12(14)20-11)21(16,17)15-5-7-1-2-8-9(3-7)19-6-18-8/h1-4,15H,5-6H2

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Similarity to PDB ligands  
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Potential Energy
Epot(MMFF94)=40.6253 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 366.245 g/mol  logS: -4.69071  SlogP: 3.5285  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0659941  Sterimol/B1: 2.86493  Sterimol/B2: 3.75552  Sterimol/B3: 4.55748
  Sterimol/B4: 5.76491  Sterimol/L: 16.9612 
 
 Surface and Volume Properties
  Accessible surface: 522.594  Positive charged surface: 201.594  Negative charged surface: 321  Volume: 271.25
  Hydrophobic surface: 383.033  Hydrophilic surface: 139.561
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  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.