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ENAMINE-ZINC04387432

 MMsINC code: MMs01539110
Type: Neutral
Formula: C13H13ClN2O4S2
SMILES:   Clc1ccc(S(=O)(=O)NCc2ccc(S(=O)(=O)N)cc2)cc1
InChI:   InChI=1/C13H13ClN2O4S2/c14-11-3-7-13(8-4-11)22(19,20)16-9-10-1-5-12(6-2-10)21(15,17)18/h1-8,16H,9H2,(H2,15,17,18)

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Potential Energy
Epot(MMFF94)=-1.23295 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 360.842 g/mol  logS: -3.95166  SlogP: 1.7323  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0781157  Sterimol/B1: 3.42711  Sterimol/B2: 3.80385  Sterimol/B3: 4.2713
  Sterimol/B4: 5.4297  Sterimol/L: 17.006 
 
 Surface and Volume Properties
  Accessible surface: 559.281  Positive charged surface: 234.944  Negative charged surface: 324.337  Volume: 283.5
  Hydrophobic surface: 342.138  Hydrophilic surface: 217.143
 
 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


MMs01539111
ENAMINE-ZINC04387432